Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805021860/bt6694sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805021860/bt6694Isup2.hkl |
CCDC reference: 282242
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.007 Å
- R factor = 0.027
- wR factor = 0.073
- Data-to-parameter ratio = 17.1
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for Cl1 - P1 .. 18.55 su PLAT230_ALERT_2_B Hirshfeld Test Diff for S1 - P1 .. 17.74 su
Alert level C PLAT034_ALERT_1_C No Flack Parameter Given. Z .GT. Si, NonCentro . ? PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.64 mm PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT230_ALERT_2_C Hirshfeld Test Diff for C7 - C8 .. 6.77 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C22 - C27 .. 5.42 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C27 - C29 .. 5.20 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C27 - C30 .. 5.22 su PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 6 PLAT732_ALERT_1_C Angle Calc 97.13(18), Rep 97.13(5) ...... 3.60 su-Rat O3 -P1 -O1 1.555 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 113.24(5), Rep 113.24(2) ...... 2.50 su-Rat S1 -P1 -CL1 1.555 1.555 1.555
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.00 From the CIF: _reflns_number_total 4630 Count of symmetry unique reflns 2327 Completeness (_total/calc) 198.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2303 Fraction of Friedel pairs measured 0.990 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
C22H30ClO4PS | F(000) = 968 |
Mr = 456.94 | Dx = 1.286 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: C-2yc | Cell parameters from 16485 reflections |
a = 23.592 (3) Å | θ = 1.7–26.7° |
b = 8.3111 (6) Å | µ = 0.34 mm−1 |
c = 12.5067 (14) Å | T = 150 K |
β = 105.740 (9)° | Prism, colorless |
V = 2360.3 (4) Å3 | 0.64 × 0.59 × 0.55 mm |
Z = 4 |
Stoe IPDS-II diffractometer | 4160 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.032 |
ω scans | θmax = 26.0°, θmin = 1.8° |
Absorption correction: integration (X-RED32; Stoe & Cie, 2002) | h = −28→28 |
Tmin = 0.824, Tmax = 0.869 | k = −10→10 |
16485 measured reflections | l = −15→15 |
4630 independent reflections |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.027 | w = 1/[σ2(Fo2) + (0.0348P)2 + 1.103P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.074 | (Δ/σ)max < 0.001 |
S = 1.12 | Δρmax = 0.18 e Å−3 |
4630 reflections | Δρmin = −0.23 e Å−3 |
270 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
2 restraints | Extinction coefficient: 0.0038 (3) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983) |
Secondary atom site location: difference Fourier map |
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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.61457 (18) | 0.2884 (5) | 0.7043 (4) | 0.0233 (9) | |
C2 | 0.65778 (19) | 0.4160 (5) | 0.7298 (4) | 0.0247 (9) | |
C3 | 0.70775 (18) | 0.3899 (5) | 0.8108 (4) | 0.0248 (9) | |
H3 | 0.7358 | 0.4711 | 0.8302 | 0.030* | |
C4 | 0.71839 (19) | 0.2351 (5) | 0.8684 (4) | 0.0247 (9) | |
C5 | 0.67790 (18) | 0.1184 (5) | 0.8424 (3) | 0.0278 (9) | |
H5 | 0.6846 | 0.0206 | 0.8798 | 0.033* | |
C6 | 0.62496 (18) | 0.1431 (5) | 0.7584 (4) | 0.0255 (9) | |
H6 | 0.5972 | 0.0612 | 0.7397 | 0.031* | |
C7 | 0.6451 (2) | 0.5797 (5) | 0.6695 (4) | 0.0303 (10) | |
C8 | 0.6370 (2) | 0.5587 (6) | 0.5439 (5) | 0.0422 (13) | |
H8A | 0.6272 | 0.6606 | 0.5073 | 0.063* | |
H8B | 0.6058 | 0.4833 | 0.5146 | 0.063* | |
H8C | 0.6729 | 0.5193 | 0.5314 | 0.063* | |
C9 | 0.5908 (2) | 0.6681 (6) | 0.6915 (5) | 0.0426 (12) | |
H9A | 0.5835 | 0.7661 | 0.6494 | 0.064* | |
H9B | 0.5987 | 0.6925 | 0.7692 | 0.064* | |
H9C | 0.5567 | 0.5999 | 0.6695 | 0.064* | |
C10 | 0.6987 (2) | 0.6971 (5) | 0.7079 (5) | 0.0448 (13) | |
H10A | 0.7327 | 0.6502 | 0.6920 | 0.067* | |
H10B | 0.7066 | 0.7159 | 0.7863 | 0.067* | |
H10C | 0.6895 | 0.7973 | 0.6688 | 0.067* | |
C11 | 0.81095 (19) | 0.3284 (6) | 0.9857 (4) | 0.0352 (11) | |
H11A | 0.8262 | 0.3593 | 0.9249 | 0.053* | |
H11B | 0.8426 | 0.2911 | 1.0463 | 0.053* | |
H11C | 0.7924 | 0.4194 | 1.0093 | 0.053* | |
C21 | 0.43699 (17) | 0.2962 (5) | 0.3639 (3) | 0.0221 (9) | |
C22 | 0.39781 (17) | 0.4218 (5) | 0.3432 (4) | 0.0218 (8) | |
C23 | 0.34387 (17) | 0.3852 (6) | 0.2561 (4) | 0.0262 (9) | |
H23 | 0.3148 | 0.4637 | 0.2374 | 0.031* | |
C24 | 0.33435 (18) | 0.2455 (5) | 0.2022 (4) | 0.0258 (9) | |
C25 | 0.37774 (17) | 0.1167 (5) | 0.2299 (4) | 0.0275 (9) | |
H25 | 0.3705 | 0.0171 | 0.1950 | 0.033* | |
C26 | 0.42902 (19) | 0.1464 (5) | 0.3079 (4) | 0.0266 (9) | |
H26 | 0.4587 | 0.0692 | 0.3246 | 0.032* | |
C27 | 0.4071 (2) | 0.5872 (5) | 0.4031 (4) | 0.0288 (10) | |
C28 | 0.3544 (2) | 0.6996 (6) | 0.3601 (5) | 0.0480 (15) | |
H28A | 0.3482 | 0.7171 | 0.2819 | 0.072* | |
H28B | 0.3620 | 0.8007 | 0.3985 | 0.072* | |
H28C | 0.3198 | 0.6515 | 0.3730 | 0.072* | |
C29 | 0.4615 (2) | 0.6646 (6) | 0.3781 (4) | 0.0393 (12) | |
H29A | 0.4555 | 0.6709 | 0.2992 | 0.059* | |
H29B | 0.4957 | 0.6004 | 0.4103 | 0.059* | |
H29C | 0.4671 | 0.7709 | 0.4093 | 0.059* | |
C30 | 0.4163 (2) | 0.5632 (5) | 0.5296 (4) | 0.0339 (11) | |
H30A | 0.4193 | 0.6663 | 0.5654 | 0.051* | |
H30B | 0.4519 | 0.5035 | 0.5599 | 0.051* | |
H30C | 0.3835 | 0.5051 | 0.5420 | 0.051* | |
C31 | 0.24133 (18) | 0.3299 (6) | 0.0825 (4) | 0.0361 (11) | |
H31A | 0.2253 | 0.3564 | 0.1431 | 0.054* | |
H31B | 0.2104 | 0.2923 | 0.0207 | 0.054* | |
H31C | 0.2592 | 0.4238 | 0.0609 | 0.054* | |
O1 | 0.56202 (13) | 0.3195 (4) | 0.6223 (3) | 0.0260 (7) | |
O2 | 0.76883 (13) | 0.2027 (4) | 0.9508 (3) | 0.0324 (8) | |
O3 | 0.49314 (14) | 0.3197 (4) | 0.4458 (3) | 0.0260 (7) | |
O4 | 0.28530 (14) | 0.2050 (4) | 0.1170 (3) | 0.0323 (8) | |
P1 | 0.52627 (7) | 0.19436 (4) | 0.53408 (15) | 0.02670 (10) | |
S1 | 0.47221 (3) | 0.06319 (14) | 0.59405 (6) | 0.0310 (2) | |
Cl1 | 0.58094 (3) | 0.06347 (14) | 0.47391 (6) | 0.0333 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0212 (18) | 0.0200 (17) | 0.028 (2) | −0.0072 (14) | 0.0050 (17) | −0.0089 (15) |
C2 | 0.030 (2) | 0.0183 (17) | 0.027 (2) | −0.0026 (15) | 0.0107 (17) | 0.0007 (15) |
C3 | 0.032 (2) | 0.0196 (18) | 0.026 (2) | −0.0043 (16) | 0.0131 (17) | −0.0005 (16) |
C4 | 0.031 (2) | 0.0233 (18) | 0.0188 (19) | 0.0071 (15) | 0.0050 (16) | 0.0058 (14) |
C5 | 0.031 (2) | 0.032 (2) | 0.0151 (18) | 0.0094 (16) | −0.0026 (15) | 0.0054 (15) |
C6 | 0.0203 (19) | 0.029 (2) | 0.025 (2) | −0.0026 (17) | 0.0009 (16) | 0.0022 (18) |
C7 | 0.030 (2) | 0.025 (2) | 0.031 (2) | −0.0076 (16) | 0.0018 (18) | −0.0044 (16) |
C8 | 0.043 (3) | 0.033 (2) | 0.051 (3) | −0.0048 (19) | 0.014 (2) | 0.017 (2) |
C9 | 0.034 (2) | 0.030 (2) | 0.061 (3) | 0.0113 (19) | 0.008 (2) | −0.002 (2) |
C10 | 0.052 (3) | 0.026 (2) | 0.050 (3) | −0.007 (2) | 0.003 (3) | −0.001 (2) |
C11 | 0.030 (2) | 0.040 (2) | 0.033 (3) | 0.0088 (18) | 0.0044 (19) | −0.008 (2) |
C21 | 0.0208 (18) | 0.029 (2) | 0.0136 (18) | −0.0064 (15) | −0.0008 (15) | −0.0056 (14) |
C22 | 0.0191 (18) | 0.0264 (19) | 0.0177 (18) | −0.0007 (14) | 0.0012 (14) | 0.0044 (14) |
C23 | 0.0169 (16) | 0.032 (2) | 0.025 (2) | 0.0040 (16) | −0.0022 (15) | 0.0073 (18) |
C24 | 0.0156 (16) | 0.038 (2) | 0.022 (2) | 0.0076 (15) | 0.0020 (15) | 0.0110 (16) |
C25 | 0.028 (2) | 0.0211 (19) | 0.034 (2) | 0.0088 (15) | 0.0098 (17) | −0.0007 (16) |
C26 | 0.030 (2) | 0.022 (2) | 0.027 (2) | 0.0067 (17) | 0.0070 (18) | 0.0021 (17) |
C27 | 0.033 (2) | 0.0173 (17) | 0.035 (2) | 0.0005 (16) | 0.0067 (18) | −0.0087 (15) |
C28 | 0.038 (3) | 0.032 (3) | 0.064 (4) | 0.017 (2) | −0.004 (3) | −0.015 (2) |
C29 | 0.057 (3) | 0.0195 (19) | 0.039 (3) | 0.002 (2) | 0.009 (2) | 0.0026 (19) |
C30 | 0.045 (3) | 0.034 (2) | 0.0201 (19) | 0.0029 (19) | 0.0051 (18) | −0.0041 (16) |
C31 | 0.023 (2) | 0.043 (3) | 0.033 (3) | 0.0120 (18) | −0.0083 (18) | 0.009 (2) |
O1 | 0.0192 (14) | 0.0256 (15) | 0.0272 (16) | 0.0020 (11) | −0.0038 (12) | −0.0011 (11) |
O2 | 0.0215 (15) | 0.0403 (19) | 0.0300 (19) | −0.0026 (13) | −0.0023 (14) | 0.0009 (14) |
O3 | 0.0286 (16) | 0.0201 (14) | 0.0252 (16) | 0.0014 (11) | 0.0001 (12) | 0.0024 (11) |
O4 | 0.0294 (16) | 0.0328 (18) | 0.0275 (18) | 0.0006 (13) | −0.0046 (15) | −0.0007 (13) |
P1 | 0.02940 (19) | 0.01983 (17) | 0.02479 (18) | −0.0009 (6) | −0.00303 (14) | −0.0009 (6) |
S1 | 0.0249 (5) | 0.0366 (6) | 0.0313 (6) | −0.0061 (4) | 0.0070 (4) | 0.0018 (5) |
Cl1 | 0.0286 (6) | 0.0384 (6) | 0.0333 (6) | 0.0069 (4) | 0.0092 (5) | −0.0030 (5) |
C1—C6 | 1.373 (6) | C21—O3 | 1.451 (5) |
C1—O1 | 1.402 (5) | C22—C23 | 1.465 (6) |
C1—C2 | 1.446 (5) | C22—C27 | 1.553 (6) |
C2—C3 | 1.347 (6) | C23—C24 | 1.330 (6) |
C2—C7 | 1.545 (6) | C23—H23 | 0.9300 |
C3—C4 | 1.463 (6) | C24—O4 | 1.385 (5) |
C3—H3 | 0.9300 | C24—C25 | 1.457 (5) |
C4—C5 | 1.338 (6) | C25—C26 | 1.355 (6) |
C4—O2 | 1.373 (5) | C25—H25 | 0.9300 |
C5—C6 | 1.412 (5) | C26—H26 | 0.9300 |
C5—H5 | 0.9300 | C27—C28 | 1.533 (6) |
C6—H6 | 0.9300 | C27—C29 | 1.540 (7) |
C7—C8 | 1.540 (8) | C27—C30 | 1.551 (7) |
C7—C10 | 1.565 (6) | C28—H28A | 0.9600 |
C7—C9 | 1.566 (7) | C28—H28B | 0.9600 |
C8—H8A | 0.9600 | C28—H28C | 0.9600 |
C8—H8B | 0.9600 | C29—H29A | 0.9600 |
C8—H8C | 0.9600 | C29—H29B | 0.9600 |
C9—H9A | 0.9600 | C29—H29C | 0.9600 |
C9—H9B | 0.9600 | C30—H30A | 0.9600 |
C9—H9C | 0.9600 | C30—H30B | 0.9600 |
C10—H10A | 0.9600 | C30—H30C | 0.9600 |
C10—H10B | 0.9600 | C31—O4 | 1.448 (5) |
C10—H10C | 0.9600 | C31—H31A | 0.9600 |
C11—O2 | 1.427 (6) | C31—H31B | 0.9600 |
C11—H11A | 0.9600 | C31—H31C | 0.9600 |
C11—H11B | 0.9600 | O1—P1 | 1.583 (3) |
C11—H11C | 0.9600 | O3—P1 | 1.564 (3) |
C21—C22 | 1.372 (5) | P1—S1 | 1.9740 (18) |
C21—C26 | 1.416 (6) | P1—Cl1 | 1.9848 (18) |
C6—C1—O1 | 121.8 (4) | C23—C22—C27 | 121.6 (4) |
C6—C1—C2 | 121.0 (4) | C24—C23—C22 | 123.4 (4) |
O1—C1—C2 | 117.2 (4) | C24—C23—H23 | 118.3 |
C3—C2—C1 | 117.9 (4) | C22—C23—H23 | 118.3 |
C3—C2—C7 | 121.5 (4) | C23—C24—O4 | 126.3 (4) |
C1—C2—C7 | 120.5 (4) | C23—C24—C25 | 120.7 (4) |
C2—C3—C4 | 120.7 (4) | O4—C24—C25 | 113.0 (4) |
C2—C3—H3 | 119.7 | C26—C25—C24 | 118.0 (4) |
C4—C3—H3 | 119.7 | C26—C25—H25 | 121.0 |
C5—C4—O2 | 117.2 (4) | C24—C25—H25 | 121.0 |
C5—C4—C3 | 120.1 (4) | C25—C26—C21 | 119.3 (4) |
O2—C4—C3 | 122.7 (4) | C25—C26—H26 | 120.4 |
C4—C5—C6 | 120.3 (4) | C21—C26—H26 | 120.4 |
C4—C5—H5 | 119.8 | C28—C27—C29 | 108.4 (4) |
C6—C5—H5 | 119.8 | C28—C27—C30 | 108.1 (4) |
C1—C6—C5 | 119.9 (4) | C29—C27—C30 | 111.5 (4) |
C1—C6—H6 | 120.1 | C28—C27—C22 | 112.0 (4) |
C5—C6—H6 | 120.1 | C29—C27—C22 | 106.8 (4) |
C8—C7—C2 | 110.7 (4) | C30—C27—C22 | 109.9 (4) |
C8—C7—C10 | 104.5 (4) | C27—C28—H28A | 109.5 |
C2—C7—C10 | 111.5 (4) | C27—C28—H28B | 109.5 |
C8—C7—C9 | 110.6 (4) | H28A—C28—H28B | 109.5 |
C2—C7—C9 | 112.7 (4) | C27—C28—H28C | 109.5 |
C10—C7—C9 | 106.5 (4) | H28A—C28—H28C | 109.5 |
C7—C8—H8A | 109.5 | H28B—C28—H28C | 109.5 |
C7—C8—H8B | 109.5 | C27—C29—H29A | 109.5 |
H8A—C8—H8B | 109.5 | C27—C29—H29B | 109.5 |
C7—C8—H8C | 109.5 | H29A—C29—H29B | 109.5 |
H8A—C8—H8C | 109.5 | C27—C29—H29C | 109.5 |
H8B—C8—H8C | 109.5 | H29A—C29—H29C | 109.5 |
C7—C9—H9A | 109.5 | H29B—C29—H29C | 109.5 |
C7—C9—H9B | 109.5 | C27—C30—H30A | 109.5 |
H9A—C9—H9B | 109.5 | C27—C30—H30B | 109.5 |
C7—C9—H9C | 109.5 | H30A—C30—H30B | 109.5 |
H9A—C9—H9C | 109.5 | C27—C30—H30C | 109.5 |
H9B—C9—H9C | 109.5 | H30A—C30—H30C | 109.5 |
C7—C10—H10A | 109.5 | H30B—C30—H30C | 109.5 |
C7—C10—H10B | 109.5 | O4—C31—H31A | 109.5 |
H10A—C10—H10B | 109.5 | O4—C31—H31B | 109.5 |
C7—C10—H10C | 109.5 | H31A—C31—H31B | 109.5 |
H10A—C10—H10C | 109.5 | O4—C31—H31C | 109.5 |
H10B—C10—H10C | 109.5 | H31A—C31—H31C | 109.5 |
O2—C11—H11A | 109.5 | H31B—C31—H31C | 109.5 |
O2—C11—H11B | 109.5 | C1—O1—P1 | 126.0 (3) |
H11A—C11—H11B | 109.5 | C4—O2—C11 | 118.4 (4) |
O2—C11—H11C | 109.5 | C21—O3—P1 | 126.4 (3) |
H11A—C11—H11C | 109.5 | C24—O4—C31 | 115.9 (3) |
H11B—C11—H11C | 109.5 | O3—P1—O1 | 97.13 (5) |
C22—C21—C26 | 125.7 (4) | O3—P1—S1 | 112.66 (14) |
C22—C21—O3 | 118.0 (3) | O1—P1—S1 | 112.02 (15) |
C26—C21—O3 | 116.2 (4) | O3—P1—Cl1 | 110.44 (15) |
C21—C22—C23 | 112.8 (4) | O1—P1—Cl1 | 110.26 (14) |
C21—C22—C27 | 125.6 (4) | S1—P1—Cl1 | 113.24 (2) |
C6—C1—C2—C3 | −2.2 (7) | C22—C23—C24—C25 | 1.6 (7) |
O1—C1—C2—C3 | 178.0 (4) | C23—C24—C25—C26 | −3.1 (7) |
C6—C1—C2—C7 | −179.2 (4) | O4—C24—C25—C26 | 176.4 (4) |
O1—C1—C2—C7 | 1.0 (6) | C24—C25—C26—C21 | 3.8 (6) |
C1—C2—C3—C4 | 1.8 (6) | C22—C21—C26—C25 | −3.2 (7) |
C7—C2—C3—C4 | 178.8 (4) | O3—C21—C26—C25 | −179.6 (4) |
C2—C3—C4—C5 | −1.2 (7) | C21—C22—C27—C28 | −179.6 (5) |
C2—C3—C4—O2 | 179.5 (4) | C23—C22—C27—C28 | 0.2 (7) |
O2—C4—C5—C6 | −179.9 (4) | C21—C22—C27—C29 | 61.8 (6) |
C3—C4—C5—C6 | 0.8 (7) | C23—C22—C27—C29 | −118.4 (4) |
O1—C1—C6—C5 | −178.4 (4) | C21—C22—C27—C30 | −59.3 (6) |
C2—C1—C6—C5 | 1.7 (7) | C23—C22—C27—C30 | 120.5 (5) |
C4—C5—C6—C1 | −1.1 (7) | C6—C1—O1—P1 | −36.4 (6) |
C3—C2—C7—C8 | 120.6 (5) | C2—C1—O1—P1 | 143.4 (3) |
C1—C2—C7—C8 | −62.5 (6) | C5—C4—O2—C11 | −175.7 (4) |
C3—C2—C7—C10 | 4.7 (7) | C3—C4—O2—C11 | 3.7 (6) |
C1—C2—C7—C10 | −178.4 (4) | C22—C21—O3—P1 | 139.9 (4) |
C3—C2—C7—C9 | −115.0 (5) | C26—C21—O3—P1 | −43.4 (5) |
C1—C2—C7—C9 | 61.9 (6) | C23—C24—O4—C31 | 1.7 (6) |
C26—C21—C22—C23 | 1.5 (6) | C25—C24—O4—C31 | −177.8 (4) |
O3—C21—C22—C23 | 177.8 (4) | C21—O3—P1—O1 | −154.2 (3) |
C26—C21—C22—C27 | −178.7 (4) | C21—O3—P1—S1 | −36.7 (4) |
O3—C21—C22—C27 | −2.4 (7) | C21—O3—P1—Cl1 | 91.0 (3) |
C21—C22—C23—C24 | −0.7 (6) | C1—O1—P1—O3 | −157.0 (3) |
C27—C22—C23—C24 | 179.5 (4) | C1—O1—P1—S1 | 85.0 (3) |
C22—C23—C24—O4 | −177.9 (4) | C1—O1—P1—Cl1 | −42.1 (4) |