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The asymmetric unit of the title structure, C27H24Br2P+·Br-, comprises two [(CH3C6H3CHBr2)(C6H5)3P]+ cations and two bromide anions. The cations exhibit closely comparable conformations, with a slight distortion from tetra­hedral geometry around P.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806047787/bi2094sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806047787/bi2094Isup2.hkl
Contains datablock I

CCDC reference: 279806

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.011 Å
  • R factor = 0.056
  • wR factor = 0.138
  • Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.78 Ratio PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C39 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C35
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.182 0.262 Tmin and Tmax expected: 0.152 0.262 RR = 1.199 Please check that your absorption correction is appropriate. PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 47 Perc. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.22 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.71 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.20 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.73 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C20 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C37 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C9 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C36
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C27 H24 Br3 P1 Atom count from _chemical_formula_moiety:
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

(3-methyl-5-bibromomethylbenzyl)trisphenylphosphonium bromide top
Crystal data top
C27H24Br2P+·BrF(000) = 2448
Mr = 619.16Dx = 1.546 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3692 reflections
a = 12.307 (3) Åθ = 2.1–19.5°
b = 21.789 (4) ŵ = 4.62 mm1
c = 19.849 (3) ÅT = 298 K
β = 91.387 (2)°Block, yellow
V = 5321.2 (17) Å30.43 × 0.37 × 0.29 mm
Z = 8
Data collection top
Bruker SMART CCD
diffractometer
9287 independent reflections
Radiation source: fine-focus sealed tube4405 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.082
φ and ω scansθmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1414
Tmin = 0.182, Tmax = 0.262k = 2125
27500 measured reflectionsl = 2322
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.056Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.138H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0549P)2]
where P = (Fo2 + 2Fc2)/3
9287 reflections(Δ/σ)max < 0.001
559 parametersΔρmax = 1.12 e Å3
0 restraintsΔρmin = 0.84 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Br10.81894 (6)0.10816 (3)0.52280 (3)0.0499 (2)
Br20.68322 (6)0.55868 (3)0.59032 (3)0.0496 (2)
Br30.97719 (11)0.81187 (6)0.23683 (7)0.1364 (5)
Br40.75011 (12)0.76034 (5)0.28265 (7)0.1440 (6)
Br50.79682 (12)0.23349 (5)0.34302 (6)0.1416 (6)
Br60.54840 (10)0.21582 (4)0.37222 (6)0.1113 (4)
P10.82123 (13)0.89736 (7)0.54084 (8)0.0340 (4)
P20.67387 (14)0.48560 (7)0.37598 (8)0.0389 (4)
C10.8427 (5)0.9352 (3)0.4056 (3)0.0345 (15)
C20.8543 (5)0.8841 (3)0.3656 (3)0.0481 (18)
H20.88760.84910.38320.058*
C30.8160 (6)0.8846 (3)0.2979 (4)0.055 (2)
C40.7651 (6)0.9372 (4)0.2730 (4)0.064 (2)
H40.73860.93760.22870.076*
C50.7530 (6)0.9883 (3)0.3120 (4)0.0529 (19)
C60.7913 (5)0.9865 (3)0.3771 (3)0.0436 (17)
H60.78291.02120.40380.052*
C70.8894 (5)0.9385 (3)0.4756 (3)0.0365 (15)
H7A0.89250.98140.48850.044*
H7B0.96370.92380.47450.044*
C80.8282 (8)0.8314 (4)0.2521 (4)0.095 (3)
H80.79560.84320.20840.114*
C90.7067 (7)1.0485 (4)0.2820 (4)0.094 (3)
H9A0.70421.07920.31660.141*
H9B0.63471.04140.26400.141*
H9C0.75251.06250.24660.141*
C100.6797 (5)0.9166 (3)0.5425 (3)0.0373 (16)
C110.6098 (5)0.8976 (3)0.4904 (3)0.0466 (17)
H110.63680.87750.45300.056*
C120.5006 (6)0.9090 (3)0.4949 (4)0.057 (2)
H120.45300.89530.46110.069*
C130.4614 (6)0.9404 (4)0.5490 (5)0.066 (2)
H130.38720.94750.55220.079*
C140.5311 (7)0.9610 (3)0.5978 (4)0.066 (2)
H140.50360.98370.63320.079*
C150.6390 (6)0.9498 (3)0.5970 (4)0.0517 (19)
H150.68510.96380.63150.062*
C160.8862 (5)0.9168 (3)0.6196 (3)0.0360 (16)
C170.9121 (5)0.9771 (3)0.6343 (3)0.0424 (17)
H170.89351.00790.60370.051*
C180.9653 (6)0.9918 (3)0.6936 (4)0.056 (2)
H180.98491.03230.70240.067*
C190.9889 (7)0.9480 (5)0.7388 (4)0.072 (2)
H191.02330.95840.77940.087*
C200.9627 (8)0.8870 (4)0.7257 (4)0.091 (3)
H200.97980.85660.75720.109*
C210.9114 (7)0.8721 (3)0.6660 (4)0.067 (2)
H210.89360.83150.65680.080*
C220.8332 (5)0.8161 (3)0.5302 (3)0.0405 (16)
C230.7466 (6)0.7783 (3)0.5442 (4)0.063 (2)
H230.67990.79520.55520.075*
C240.7592 (7)0.7151 (3)0.5419 (4)0.072 (2)
H240.70150.68970.55290.086*
C250.8537 (7)0.6904 (3)0.5242 (4)0.067 (2)
H250.86080.64800.52110.081*
C260.9394 (6)0.7273 (3)0.5106 (4)0.068 (2)
H261.00510.70960.49910.082*
C270.9318 (6)0.7908 (3)0.5134 (3)0.0523 (19)
H270.99120.81560.50420.063*
C280.6606 (5)0.3912 (3)0.4728 (3)0.0391 (16)
C290.6516 (5)0.3393 (3)0.4321 (3)0.0459 (18)
H290.61770.34150.38980.055*
C300.6950 (6)0.2834 (3)0.4565 (3)0.0472 (18)
C310.7416 (6)0.2801 (3)0.5191 (4)0.0523 (19)
H310.76940.24280.53450.063*
C320.7485 (6)0.3312 (3)0.5603 (3)0.0504 (18)
C330.7104 (5)0.3864 (3)0.5358 (3)0.0431 (17)
H330.71830.42140.56220.052*
C340.6121 (5)0.4523 (3)0.4482 (3)0.0373 (16)
H34A0.61720.48160.48500.045*
H34B0.53550.44610.43770.045*
C350.6881 (7)0.2278 (3)0.4115 (4)0.067 (2)
H350.70530.19170.43920.080*
C360.7990 (8)0.3274 (4)0.6306 (4)0.095 (3)
H36A0.82060.28580.63980.142*
H36B0.74690.34020.66290.142*
H36C0.86150.35370.63350.142*
C370.6132 (5)0.5591 (3)0.3607 (3)0.0438 (17)
C380.5990 (8)0.5783 (4)0.2958 (4)0.092 (3)
H380.61860.55250.26070.110*
C390.5562 (11)0.6352 (6)0.2813 (6)0.140 (5)
H390.54910.64860.23700.168*
C400.5239 (8)0.6721 (5)0.3338 (7)0.108 (4)
H400.49110.70970.32420.130*
C410.5392 (7)0.6544 (4)0.4001 (6)0.090 (3)
H410.51970.68030.43500.108*
C420.5843 (6)0.5971 (4)0.4138 (4)0.067 (2)
H420.59520.58420.45820.080*
C430.8169 (5)0.4937 (3)0.3915 (3)0.0441 (17)
C440.8612 (6)0.5514 (3)0.4067 (3)0.0550 (19)
H440.81610.58560.40770.066*
C450.9723 (7)0.5581 (4)0.4203 (4)0.067 (2)
H451.00080.59630.43180.081*
C461.0384 (7)0.5084 (5)0.4166 (4)0.070 (2)
H461.11290.51300.42380.083*
C470.9968 (7)0.4526 (4)0.4025 (4)0.071 (2)
H471.04350.41910.40120.086*
C480.8856 (6)0.4432 (3)0.3896 (4)0.062 (2)
H480.85850.40420.38000.074*
C490.6495 (6)0.4396 (3)0.3024 (3)0.0427 (17)
C500.7316 (7)0.4282 (4)0.2572 (4)0.069 (2)
H500.80090.44380.26540.083*
C510.7103 (9)0.3937 (4)0.2001 (4)0.089 (3)
H510.76460.38730.16920.106*
C520.6091 (9)0.3687 (4)0.1890 (4)0.081 (3)
H520.59550.34400.15160.097*
C530.5283 (7)0.3807 (4)0.2333 (4)0.077 (2)
H530.45910.36470.22490.092*
C540.5471 (6)0.4156 (3)0.2900 (3)0.058 (2)
H540.49130.42300.31970.069*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Br10.0448 (4)0.0437 (4)0.0612 (5)0.0061 (3)0.0001 (4)0.0061 (3)
Br20.0456 (5)0.0547 (4)0.0484 (4)0.0016 (3)0.0029 (4)0.0052 (3)
Br30.1294 (11)0.1283 (9)0.1545 (11)0.0031 (8)0.0662 (9)0.0618 (8)
Br40.1640 (12)0.0905 (8)0.1798 (12)0.0537 (8)0.0486 (10)0.0545 (8)
Br50.1812 (13)0.1089 (9)0.1387 (11)0.0047 (8)0.0895 (10)0.0359 (7)
Br60.1338 (10)0.0790 (7)0.1193 (9)0.0323 (6)0.0325 (7)0.0220 (6)
P10.0333 (10)0.0330 (9)0.0358 (10)0.0002 (8)0.0017 (8)0.0019 (7)
P20.0344 (10)0.0471 (11)0.0351 (10)0.0022 (8)0.0031 (8)0.0058 (8)
C10.034 (4)0.038 (4)0.033 (4)0.001 (3)0.010 (3)0.002 (3)
C20.044 (4)0.043 (4)0.058 (5)0.002 (3)0.012 (4)0.001 (4)
C30.063 (5)0.064 (5)0.038 (5)0.022 (4)0.016 (4)0.017 (4)
C40.050 (5)0.099 (7)0.042 (5)0.016 (5)0.009 (4)0.010 (5)
C50.048 (5)0.069 (5)0.042 (5)0.009 (4)0.000 (4)0.004 (4)
C60.038 (4)0.053 (5)0.040 (5)0.005 (3)0.005 (4)0.001 (3)
C70.039 (4)0.039 (4)0.032 (4)0.002 (3)0.001 (3)0.001 (3)
C80.119 (8)0.095 (7)0.072 (6)0.019 (6)0.015 (6)0.033 (5)
C90.060 (6)0.168 (9)0.054 (5)0.032 (6)0.005 (5)0.041 (6)
C100.029 (4)0.031 (4)0.052 (4)0.001 (3)0.006 (4)0.003 (3)
C110.033 (4)0.057 (5)0.049 (5)0.002 (3)0.000 (4)0.005 (3)
C120.053 (5)0.055 (5)0.064 (5)0.004 (4)0.012 (4)0.004 (4)
C130.030 (5)0.078 (6)0.090 (7)0.003 (4)0.003 (5)0.010 (5)
C140.050 (6)0.065 (5)0.083 (6)0.011 (4)0.016 (5)0.012 (4)
C150.043 (5)0.053 (5)0.059 (5)0.006 (4)0.004 (4)0.001 (4)
C160.039 (4)0.041 (4)0.028 (4)0.001 (3)0.001 (3)0.005 (3)
C170.048 (5)0.048 (5)0.031 (4)0.006 (3)0.001 (3)0.005 (3)
C180.058 (5)0.067 (5)0.043 (5)0.013 (4)0.008 (4)0.009 (4)
C190.076 (6)0.101 (7)0.040 (5)0.004 (5)0.008 (4)0.006 (5)
C200.137 (9)0.082 (7)0.053 (6)0.011 (6)0.039 (6)0.016 (5)
C210.104 (7)0.055 (5)0.040 (5)0.004 (4)0.016 (5)0.014 (4)
C220.044 (5)0.029 (4)0.049 (4)0.004 (3)0.001 (4)0.001 (3)
C230.053 (5)0.046 (5)0.089 (6)0.005 (4)0.011 (5)0.004 (4)
C240.073 (6)0.038 (5)0.104 (7)0.012 (4)0.007 (5)0.008 (4)
C250.071 (6)0.039 (5)0.092 (6)0.007 (5)0.007 (5)0.006 (4)
C260.050 (5)0.050 (5)0.105 (7)0.023 (4)0.003 (5)0.001 (4)
C270.053 (5)0.038 (4)0.067 (5)0.003 (4)0.008 (4)0.003 (3)
C280.041 (4)0.039 (4)0.037 (4)0.002 (3)0.005 (3)0.004 (3)
C290.061 (5)0.035 (4)0.042 (4)0.004 (3)0.004 (4)0.005 (3)
C300.067 (5)0.028 (4)0.047 (5)0.001 (3)0.004 (4)0.002 (3)
C310.063 (5)0.041 (4)0.053 (5)0.006 (4)0.002 (4)0.003 (4)
C320.050 (5)0.055 (5)0.046 (5)0.005 (4)0.003 (4)0.015 (4)
C330.052 (5)0.043 (4)0.033 (4)0.005 (3)0.012 (4)0.000 (3)
C340.035 (4)0.044 (4)0.033 (4)0.005 (3)0.001 (3)0.007 (3)
C350.097 (7)0.045 (5)0.058 (5)0.004 (4)0.005 (5)0.003 (4)
C360.147 (9)0.077 (6)0.058 (6)0.016 (6)0.036 (6)0.008 (4)
C370.039 (4)0.047 (4)0.045 (4)0.017 (3)0.012 (4)0.013 (4)
C380.153 (10)0.056 (6)0.064 (6)0.004 (6)0.033 (6)0.015 (5)
C390.216 (15)0.083 (9)0.117 (10)0.030 (9)0.094 (10)0.032 (7)
C400.081 (7)0.068 (7)0.172 (12)0.004 (5)0.049 (8)0.061 (8)
C410.090 (7)0.050 (6)0.133 (9)0.013 (5)0.035 (7)0.016 (6)
C420.063 (6)0.065 (6)0.073 (6)0.016 (4)0.015 (5)0.027 (5)
C430.032 (4)0.062 (5)0.039 (4)0.011 (4)0.000 (3)0.001 (3)
C440.047 (5)0.066 (5)0.052 (5)0.002 (4)0.008 (4)0.010 (4)
C450.042 (5)0.103 (7)0.057 (5)0.020 (5)0.001 (4)0.025 (5)
C460.044 (5)0.116 (8)0.049 (5)0.006 (6)0.002 (4)0.002 (5)
C470.053 (6)0.096 (7)0.066 (6)0.031 (5)0.000 (5)0.024 (5)
C480.056 (6)0.060 (5)0.069 (5)0.013 (4)0.004 (4)0.014 (4)
C490.049 (5)0.055 (4)0.024 (4)0.004 (4)0.001 (3)0.001 (3)
C500.062 (6)0.103 (6)0.043 (5)0.015 (5)0.018 (4)0.005 (5)
C510.107 (9)0.107 (7)0.053 (6)0.009 (6)0.030 (6)0.026 (5)
C520.115 (9)0.085 (6)0.042 (5)0.002 (6)0.001 (6)0.016 (4)
C530.078 (7)0.089 (6)0.062 (6)0.007 (5)0.016 (5)0.023 (5)
C540.042 (5)0.087 (6)0.044 (5)0.002 (4)0.000 (4)0.014 (4)
Geometric parameters (Å, º) top
Br3—C81.914 (10)C24—H240.930
Br4—C81.929 (9)C25—C261.359 (10)
Br5—C351.933 (7)C25—H250.930
Br6—C351.889 (8)C26—C271.388 (9)
P1—C221.789 (6)C26—H260.930
P1—C161.790 (6)C27—H270.930
P1—C101.792 (6)C28—C331.383 (8)
P1—C71.800 (6)C28—C291.390 (8)
P2—C431.788 (6)C28—C341.536 (8)
P2—C371.790 (7)C29—C301.410 (8)
P2—C491.790 (6)C29—H290.930
P2—C341.792 (6)C30—C311.358 (9)
C1—C21.376 (8)C30—C351.508 (9)
C1—C61.398 (8)C31—C321.384 (9)
C1—C71.493 (8)C31—H310.930
C2—C31.412 (9)C32—C331.375 (8)
C2—H20.930C32—C361.515 (9)
C3—C41.393 (10)C33—H330.930
C3—C81.483 (9)C34—H34A0.970
C4—C51.366 (10)C34—H34B0.970
C4—H40.930C35—H350.980
C5—C61.365 (9)C36—H36A0.960
C5—C91.544 (10)C36—H36B0.960
C6—H60.930C36—H36C0.960
C7—H7A0.970C37—C381.362 (9)
C7—H7B0.970C37—C421.393 (9)
C8—H80.980C38—C391.375 (13)
C9—H9A0.960C38—H380.930
C9—H9B0.960C39—C401.382 (14)
C9—H9C0.960C39—H390.930
C10—C111.391 (8)C40—C411.381 (13)
C10—C151.405 (8)C40—H400.930
C11—C121.371 (9)C41—C421.392 (10)
C11—H110.930C41—H410.930
C12—C131.371 (9)C42—H420.930
C12—H120.930C43—C481.388 (9)
C13—C141.356 (10)C43—C441.401 (8)
C13—H130.930C44—C451.394 (10)
C14—C151.350 (9)C44—H440.930
C14—H140.930C45—C461.356 (10)
C15—H150.930C45—H450.930
C16—C211.371 (8)C46—C471.346 (10)
C16—C171.380 (8)C46—H460.930
C17—C181.372 (9)C47—C481.401 (10)
C17—H170.930C47—H470.930
C18—C191.337 (10)C48—H480.930
C18—H180.930C49—C541.382 (9)
C19—C201.391 (10)C49—C501.390 (9)
C19—H190.930C50—C511.379 (10)
C20—C211.368 (10)C50—H500.930
C20—H200.930C51—C521.371 (11)
C21—H210.930C51—H510.930
C22—C231.381 (9)C52—C531.369 (10)
C22—C271.381 (8)C52—H520.930
C23—C241.387 (9)C53—C541.373 (9)
C23—H230.930C53—H530.930
C24—C251.337 (10)C54—H540.930
C22—P1—C16107.6 (3)C25—C26—C27122.0 (7)
C22—P1—C10108.4 (3)C25—C26—H26119.0
C16—P1—C10110.0 (3)C27—C26—H26119.0
C22—P1—C7111.5 (3)C22—C27—C26117.9 (6)
C16—P1—C7107.7 (3)C22—C27—H27121.0
C10—P1—C7111.5 (3)C26—C27—H27121.1
C43—P2—C37110.3 (3)C33—C28—C29119.4 (6)
C43—P2—C49109.9 (3)C33—C28—C34120.8 (5)
C37—P2—C49107.5 (3)C29—C28—C34119.7 (6)
C43—P2—C34109.7 (3)C28—C29—C30118.6 (6)
C37—P2—C34108.3 (3)C28—C29—H29120.7
C49—P2—C34111.1 (3)C30—C29—H29120.7
C2—C1—C6117.7 (6)C31—C30—C29120.5 (6)
C2—C1—C7122.3 (6)C31—C30—C35121.0 (6)
C6—C1—C7119.9 (5)C29—C30—C35118.5 (6)
C1—C2—C3120.4 (6)C30—C31—C32121.1 (6)
C1—C2—H2119.8C30—C31—H31119.5
C3—C2—H2119.8C32—C31—H31119.4
C4—C3—C2118.7 (6)C33—C32—C31118.6 (7)
C4—C3—C8118.5 (8)C33—C32—C36120.2 (7)
C2—C3—C8122.8 (8)C31—C32—C36121.2 (6)
C5—C4—C3121.6 (7)C32—C33—C28121.8 (6)
C5—C4—H4119.2C32—C33—H33119.1
C3—C4—H4119.2C28—C33—H33119.1
C6—C5—C4118.2 (7)C28—C34—P2115.8 (4)
C6—C5—C9120.4 (7)C28—C34—H34A108.3
C4—C5—C9121.2 (7)P2—C34—H34A108.3
C5—C6—C1123.3 (6)C28—C34—H34B108.3
C5—C6—H6118.3P2—C34—H34B108.3
C1—C6—H6118.4H34A—C34—H34B107.4
C1—C7—P1118.0 (4)C30—C35—Br6113.1 (5)
C1—C7—H7A107.8C30—C35—Br5109.6 (5)
P1—C7—H7A107.8Br6—C35—Br5111.0 (4)
C1—C7—H7B107.8C30—C35—H35107.7
P1—C7—H7B107.8Br6—C35—H35107.7
H7A—C7—H7B107.1Br5—C35—H35107.7
C3—C8—Br3112.5 (6)C32—C36—H36A109.5
C3—C8—Br4112.0 (5)C32—C36—H36B109.5
Br3—C8—Br4110.9 (5)H36A—C36—H36B109.5
C3—C8—H8107.0C32—C36—H36C109.5
Br3—C8—H8107.0H36A—C36—H36C109.5
Br4—C8—H8107.0H36B—C36—H36C109.5
C5—C9—H9A109.4C38—C37—C42120.3 (7)
C5—C9—H9B109.5C38—C37—P2118.6 (6)
H9A—C9—H9B109.5C42—C37—P2121.1 (5)
C5—C9—H9C109.5C37—C38—C39120.9 (9)
H9A—C9—H9C109.5C37—C38—H38119.6
H9B—C9—H9C109.5C39—C38—H38119.6
C11—C10—C15120.0 (6)C38—C39—C40119.0 (10)
C11—C10—P1120.1 (5)C38—C39—H39120.5
C15—C10—P1119.9 (5)C40—C39—H39120.5
C12—C11—C10119.2 (6)C41—C40—C39121.4 (9)
C12—C11—H11120.4C41—C40—H40119.3
C10—C11—H11120.4C39—C40—H40119.3
C11—C12—C13120.3 (7)C40—C41—C42118.8 (9)
C11—C12—H12119.8C40—C41—H41120.6
C13—C12—H12119.8C42—C41—H41120.6
C14—C13—C12119.8 (7)C41—C42—C37119.5 (8)
C14—C13—H13120.1C41—C42—H42120.2
C12—C13—H13120.1C37—C42—H42120.3
C15—C14—C13122.4 (7)C48—C43—C44118.8 (6)
C15—C14—H14118.8C48—C43—P2121.0 (6)
C13—C14—H14118.8C44—C43—P2120.1 (5)
C14—C15—C10118.2 (7)C45—C44—C43120.7 (7)
C14—C15—H15120.9C45—C44—H44119.6
C10—C15—H15120.9C43—C44—H44119.7
C21—C16—C17119.1 (6)C46—C45—C44119.5 (8)
C21—C16—P1120.5 (5)C46—C45—H45120.2
C17—C16—P1120.4 (5)C44—C45—H45120.2
C18—C17—C16120.4 (6)C47—C46—C45120.4 (8)
C18—C17—H17119.8C47—C46—H46119.8
C16—C17—H17119.8C45—C46—H46119.8
C19—C18—C17120.1 (7)C46—C47—C48122.4 (8)
C19—C18—H18120.0C46—C47—H47118.8
C17—C18—H18119.9C48—C47—H47118.8
C18—C19—C20120.7 (8)C43—C48—C47118.1 (7)
C18—C19—H19119.6C43—C48—H48121.0
C20—C19—H19119.6C47—C48—H48120.9
C21—C20—C19119.2 (7)C54—C49—C50119.4 (6)
C21—C20—H20120.4C54—C49—P2119.5 (5)
C19—C20—H20120.4C50—C49—P2121.2 (6)
C20—C21—C16120.4 (7)C51—C50—C49120.1 (8)
C20—C21—H21119.8C51—C50—H50119.9
C16—C21—H21119.8C49—C50—H50120.0
C23—C22—C27119.8 (6)C52—C51—C50120.2 (8)
C23—C22—P1120.0 (5)C52—C51—H51119.9
C27—C22—P1119.9 (5)C50—C51—H51119.9
C22—C23—C24119.9 (7)C53—C52—C51119.5 (8)
C22—C23—H23120.1C53—C52—H52120.3
C24—C23—H23120.1C51—C52—H52120.3
C25—C24—C23120.5 (7)C52—C53—C54121.4 (8)
C25—C24—H24119.8C52—C53—H53119.3
C23—C24—H24119.7C54—C53—H53119.3
C24—C25—C26119.8 (7)C53—C54—C49119.5 (7)
C24—C25—H25120.1C53—C54—H54120.3
C26—C25—H25120.1C49—C54—H54120.3
 

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