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In the rac isomer mixture of the title compound, C24H26O8, the mol­ecules are weakly linked via C—H...O and π–π inter­actions, forming a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805027856/is6116sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805027856/is6116Isup2.hkl
Contains datablock I

CCDC reference: 287603

Key indicators

  • Single-crystal X-ray study
  • T = 292 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.065
  • wR factor = 0.177
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.53 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C9 - C13 .. 5.06 su 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 C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C9 - C13 ... 1.43 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Comment top

We synthesized the title compound, a 2,3-disubstituted succinate derivative, (I), according to the literature method of Wu et al. (1998), ands report here its crystal structure.

The molecular structure of (I) is illustrated in Fig. 1 and selected bond lengths and torsion angles are given in Table 1. Chiral atoms C9 and C13 possess the same configuration, indicating that (I) is the rac isomer. The central C8—C9—C13—C17 chain is in a cis configuration with a torsion angle of 53.0 (4)°. Analysis with PLATON (Spek, 2003) shows that no classic hydrogen bonds exist in the molecular structure, although C—H···O hydrogen bonds and a ππ interaction are present, forming a three-dimensional network in the crystal (Fig. 2 and Table 2). A ππ interaction is observed between the benzene rings [C2–C7 and C2i–C7i; symmetry code: (i) −x,1 − y,2 − z] with a centroid–centroid distance of 3.696 (2) Å.

Experimental top

Compound (I) was synthesized according to the literature procedure of Wu et al. (1998). Single crystals suitable for X-ray diffraction were obtained by slow evaporation of an ethanol solution at room temperature.

Refinement top

All H atoms were located at idealized positions (methyl C—H = 0.96 Å, methylene C—H = 0.97 Å, methine C—H = 0.98 Å and aromatic C—H = 0.93 Å) and included in the refinement using the riding-model approximation, with Uiso(H) = 1.5Ueq(C) for methyl H atoms and Uiso(H) = 1.2Ueq(C) for the other H atoms.

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound, showing 30% probablity displacement ellipsoids.
[Figure 2] Fig. 2. Plot of the crystal packing, showing the linking of the molecules by C—H···O hydrogen bonds and a π-π interaction as dashed lines. H atoms not involved in the hydrogen bonds have been omitted for clarity [symmetry codes: (ii) 1 − x, 1 − y, 2 − z; (iii) 1 − x, 1 − y, 1 − z; (iv) 1 + x, 1/2 − y, 1/2 + z].
rac-Diethyl 2,3-bis(2-methoxybenzoyl)succinate top
Crystal data top
C24H26O8F(000) = 936
Mr = 442.45Dx = 1.277 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4946 reflections
a = 7.651 (1) Åθ = 2.4–21.7°
b = 28.146 (4) ŵ = 0.10 mm1
c = 10.9770 (14) ÅT = 292 K
β = 103.214 (2)°Block, colorless
V = 2301.2 (5) Å30.30 × 0.30 × 0.20 mm
Z = 4
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
Rint = 0.030
Graphite monochromatorθmax = 25.0°, θmin = 2.0°
ω scansh = 89
16206 measured reflectionsk = 3333
4040 independent reflectionsl = 1213
2830 reflections with I > 2σ(I)
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)] = 0.065Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.177H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0669P)2 + 1.0101P]
where P = (Fo2 + 2Fc2)/3
4040 reflections(Δ/σ)max < 0.001
293 parametersΔρmax = 0.18 e Å3
0 restraintsΔρmin = 0.21 e Å3
Crystal data top
C24H26O8V = 2301.2 (5) Å3
Mr = 442.45Z = 4
Monoclinic, P21/cMo Kα radiation
a = 7.651 (1) ŵ = 0.10 mm1
b = 28.146 (4) ÅT = 292 K
c = 10.9770 (14) Å0.30 × 0.30 × 0.20 mm
β = 103.214 (2)°
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
2830 reflections with I > 2σ(I)
16206 measured reflectionsRint = 0.030
4040 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0650 restraints
wR(F2) = 0.177H-atom parameters constrained
S = 1.09Δρmax = 0.18 e Å3
4040 reflectionsΔρmin = 0.21 e Å3
293 parameters
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
C10.1573 (5)0.47264 (18)0.6946 (5)0.1269 (16)
H1A0.09900.48130.76010.190*
H1B0.10310.44430.65400.190*
H1C0.14450.49800.63460.190*
C20.4462 (4)0.50008 (11)0.8083 (3)0.0709 (8)
C30.3777 (5)0.54409 (13)0.8300 (3)0.0877 (10)
H30.25590.55040.80130.105*
C40.4898 (7)0.57846 (13)0.8940 (4)0.0984 (12)
H40.44280.60780.90870.118*
C50.6696 (7)0.57010 (13)0.9363 (4)0.0973 (12)
H50.74470.59370.97850.117*
C60.7374 (5)0.52684 (10)0.9159 (3)0.0793 (9)
H60.85940.52110.94600.095*
C70.6291 (4)0.49098 (10)0.8513 (3)0.0652 (7)
C80.7201 (4)0.44478 (10)0.8403 (3)0.0650 (7)
C90.6413 (4)0.40748 (9)0.7436 (3)0.0700 (8)
H90.52810.39830.76460.084*
C100.5861 (4)0.42674 (10)0.6128 (3)0.0655 (7)
C110.3753 (5)0.42202 (14)0.4190 (3)0.0912 (10)
H11A0.45500.41020.36870.109*
H11B0.37400.45640.41470.109*
C120.1940 (6)0.4034 (2)0.3711 (4)0.1414 (19)
H12A0.19800.36940.36880.212*
H12B0.14700.41550.28830.212*
H12C0.11800.41330.42500.212*
C130.7436 (4)0.36454 (10)0.7556 (3)0.0659 (8)
H130.86150.37470.74440.079*
C140.6872 (4)0.32635 (10)0.6581 (3)0.0631 (7)
C150.6810 (6)0.30119 (14)0.4522 (4)0.1003 (12)
H15A0.71790.26980.48460.120*
H15B0.55180.30100.42050.120*
C160.7687 (9)0.3130 (2)0.3527 (5)0.156 (2)
H16A0.74060.34520.32650.235*
H16B0.72730.29200.28320.235*
H16C0.89620.30970.38230.235*
C170.7839 (4)0.34207 (9)0.8842 (3)0.0616 (7)
C180.9645 (4)0.32303 (9)0.9425 (3)0.0633 (7)
C191.0010 (5)0.31416 (13)1.0678 (4)0.0977 (11)
H190.91160.31831.11180.117*
C201.1719 (8)0.29886 (17)1.1310 (5)0.1374 (19)
H201.19730.29361.21690.165*
C211.2995 (7)0.29178 (16)1.0658 (7)0.136 (2)
H211.41240.28111.10750.164*
C221.2667 (5)0.29990 (14)0.9415 (6)0.1132 (15)
H221.35740.29560.89870.136*
C231.0981 (4)0.31463 (11)0.8777 (4)0.0788 (10)
C241.1917 (6)0.32955 (19)0.6873 (5)0.149 (2)
H24A1.24240.36040.71040.224*
H24B1.14130.32870.59880.224*
H24C1.28390.30590.70860.224*
O10.3447 (3)0.46418 (8)0.7471 (2)0.0892 (7)
O20.8632 (3)0.43649 (8)0.9100 (3)0.1008 (8)
O30.6719 (3)0.45627 (8)0.5730 (2)0.0887 (7)
O40.4380 (3)0.40670 (7)0.54783 (18)0.0689 (5)
O50.6108 (3)0.29144 (8)0.6779 (2)0.0934 (7)
O60.7305 (3)0.33630 (7)0.5512 (2)0.0778 (6)
O70.6648 (3)0.33941 (8)0.9401 (2)0.0842 (7)
O81.0550 (3)0.32023 (12)0.7523 (3)0.1155 (10)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.064 (2)0.151 (4)0.158 (4)0.010 (2)0.011 (2)0.020 (3)
C20.081 (2)0.0704 (18)0.0655 (19)0.0021 (16)0.0261 (16)0.0005 (15)
C30.105 (3)0.085 (2)0.082 (2)0.017 (2)0.042 (2)0.0093 (19)
C40.153 (4)0.068 (2)0.087 (3)0.011 (2)0.054 (3)0.0008 (19)
C50.132 (4)0.068 (2)0.091 (3)0.010 (2)0.025 (3)0.0099 (18)
C60.105 (3)0.0595 (18)0.072 (2)0.0098 (17)0.0187 (18)0.0029 (15)
C70.080 (2)0.0579 (16)0.0605 (18)0.0029 (14)0.0217 (15)0.0018 (13)
C80.0581 (18)0.0635 (16)0.073 (2)0.0101 (13)0.0142 (15)0.0065 (14)
C90.0717 (19)0.0528 (15)0.078 (2)0.0088 (13)0.0027 (16)0.0011 (14)
C100.0668 (18)0.0527 (15)0.077 (2)0.0038 (14)0.0164 (16)0.0035 (14)
C110.105 (3)0.097 (2)0.067 (2)0.007 (2)0.009 (2)0.0126 (18)
C120.110 (3)0.218 (6)0.080 (3)0.031 (4)0.010 (2)0.012 (3)
C130.0661 (18)0.0640 (17)0.0712 (19)0.0110 (13)0.0230 (15)0.0039 (14)
C140.0517 (16)0.0627 (17)0.077 (2)0.0047 (13)0.0192 (14)0.0051 (14)
C150.109 (3)0.096 (3)0.099 (3)0.015 (2)0.029 (2)0.032 (2)
C160.212 (6)0.171 (5)0.111 (4)0.059 (4)0.089 (4)0.059 (3)
C170.0525 (16)0.0577 (15)0.078 (2)0.0026 (12)0.0215 (15)0.0020 (14)
C180.0537 (16)0.0539 (15)0.081 (2)0.0045 (12)0.0132 (15)0.0032 (14)
C190.092 (3)0.099 (3)0.097 (3)0.024 (2)0.011 (2)0.013 (2)
C200.131 (4)0.125 (4)0.129 (4)0.049 (3)0.025 (3)0.016 (3)
C210.077 (3)0.095 (3)0.208 (6)0.035 (2)0.026 (4)0.006 (4)
C220.055 (2)0.087 (3)0.190 (5)0.0063 (18)0.012 (3)0.021 (3)
C230.0459 (17)0.0651 (18)0.124 (3)0.0072 (13)0.0171 (19)0.0106 (18)
C240.114 (4)0.164 (4)0.206 (6)0.025 (3)0.112 (4)0.018 (4)
O10.0661 (14)0.0945 (16)0.1068 (18)0.0001 (12)0.0196 (12)0.0139 (13)
O20.0651 (15)0.0953 (16)0.125 (2)0.0028 (12)0.0132 (14)0.0383 (14)
O30.0940 (16)0.0773 (14)0.0969 (17)0.0206 (12)0.0258 (13)0.0072 (12)
O40.0715 (13)0.0698 (12)0.0630 (13)0.0066 (10)0.0103 (10)0.0043 (9)
O50.0889 (16)0.0853 (15)0.1082 (19)0.0327 (13)0.0273 (14)0.0078 (13)
O60.0893 (15)0.0758 (13)0.0748 (14)0.0093 (11)0.0324 (12)0.0179 (11)
O70.0616 (13)0.1065 (17)0.0926 (16)0.0100 (11)0.0346 (12)0.0121 (12)
O80.0619 (15)0.177 (3)0.120 (2)0.0084 (15)0.0464 (16)0.0081 (19)
Geometric parameters (Å, º) top
C1—O11.438 (4)C13—C141.508 (4)
C1—H1A0.9600C13—C171.513 (4)
C1—H1B0.9600C13—H130.9800
C1—H1C0.9600C14—O51.189 (3)
C2—O11.355 (4)C14—O61.320 (3)
C2—C31.387 (4)C15—C161.445 (5)
C2—C71.395 (4)C15—O61.453 (4)
C3—C41.375 (5)C15—H15A0.9700
C3—H30.9300C15—H15B0.9700
C4—C51.368 (6)C16—H16A0.9600
C4—H40.9300C16—H16B0.9600
C5—C61.362 (5)C16—H16C0.9600
C5—H50.9300C17—O71.212 (3)
C6—C71.393 (4)C17—C181.484 (4)
C6—H60.9300C18—C191.363 (5)
C7—C81.493 (4)C18—C231.392 (4)
C8—O21.206 (3)C19—C201.401 (6)
C8—C91.517 (4)C19—H190.9300
C9—C131.429 (4)C20—C211.350 (8)
C9—C101.503 (4)C20—H200.9300
C9—H90.9800C21—C221.350 (7)
C10—O31.201 (3)C21—H210.9300
C10—O41.320 (3)C22—C231.384 (5)
C11—O41.451 (4)C22—H220.9300
C11—C121.463 (5)C23—O81.349 (4)
C11—H11A0.9700C24—O81.419 (4)
C11—H11B0.9700C24—H24A0.9600
C12—H12A0.9600C24—H24B0.9600
C12—H12B0.9600C24—H24C0.9600
C12—H12C0.9600
O1—C1—H1A109.5C14—C13—C17109.2 (2)
O1—C1—H1B109.5C9—C13—H13104.0
H1A—C1—H1B109.5C14—C13—H13104.0
O1—C1—H1C109.5C17—C13—H13104.0
H1A—C1—H1C109.5O5—C14—O6124.9 (3)
H1B—C1—H1C109.5O5—C14—C13122.2 (3)
O1—C2—C3123.7 (3)O6—C14—C13113.0 (2)
O1—C2—C7116.6 (3)C16—C15—O6108.8 (3)
C3—C2—C7119.7 (3)C16—C15—H15A109.9
C4—C3—C2120.0 (4)O6—C15—H15A109.9
C4—C3—H3120.0C16—C15—H15B109.9
C2—C3—H3120.0O6—C15—H15B109.9
C5—C4—C3120.9 (3)H15A—C15—H15B108.3
C5—C4—H4119.5C15—C16—H16A109.5
C3—C4—H4119.5C15—C16—H16B109.5
C6—C5—C4119.3 (4)H16A—C16—H16B109.5
C6—C5—H5120.3C15—C16—H16C109.5
C4—C5—H5120.3H16A—C16—H16C109.5
C5—C6—C7121.8 (4)H16B—C16—H16C109.5
C5—C6—H6119.1O7—C17—C18119.5 (3)
C7—C6—H6119.1O7—C17—C13118.8 (3)
C6—C7—C2118.3 (3)C18—C17—C13121.6 (2)
C6—C7—C8116.0 (3)C19—C18—C23118.6 (3)
C2—C7—C8125.7 (3)C19—C18—C17117.2 (3)
O2—C8—C7119.3 (3)C23—C18—C17124.1 (3)
O2—C8—C9117.9 (3)C18—C19—C20120.6 (4)
C7—C8—C9122.8 (3)C18—C19—H19119.7
C13—C9—C10114.9 (3)C20—C19—H19119.7
C13—C9—C8113.5 (3)C21—C20—C19119.3 (5)
C10—C9—C8113.5 (2)C21—C20—H20120.3
C13—C9—H9104.5C19—C20—H20120.3
C10—C9—H9104.5C22—C21—C20121.4 (4)
C8—C9—H9104.5C22—C21—H21119.3
O3—C10—O4124.9 (3)C20—C21—H21119.3
O3—C10—C9122.7 (3)C21—C22—C23119.9 (5)
O4—C10—C9112.4 (2)C21—C22—H22120.1
O4—C11—C12108.6 (3)C23—C22—H22120.1
O4—C11—H11A110.0O8—C23—C22122.2 (4)
C12—C11—H11A110.0O8—C23—C18117.7 (3)
O4—C11—H11B110.0C22—C23—C18120.1 (4)
C12—C11—H11B110.0O8—C24—H24A109.5
H11A—C11—H11B108.4O8—C24—H24B109.5
C11—C12—H12A109.5H24A—C24—H24B109.5
C11—C12—H12B109.5O8—C24—H24C109.5
H12A—C12—H12B109.5H24A—C24—H24C109.5
C11—C12—H12C109.5H24B—C24—H24C109.5
H12A—C12—H12C109.5C2—O1—C1118.8 (3)
H12B—C12—H12C109.5C10—O4—C11116.8 (2)
C9—C13—C14118.4 (2)C14—O6—C15116.4 (3)
C9—C13—C17115.5 (2)C23—O8—C24119.9 (3)
O1—C2—C3—C4179.4 (3)C17—C13—C14—O6149.7 (2)
C7—C2—C3—C40.1 (5)C9—C13—C17—O744.1 (4)
C2—C3—C4—C50.4 (5)C14—C13—C17—O792.1 (3)
C3—C4—C5—C60.8 (6)C9—C13—C17—C18136.3 (3)
C4—C5—C6—C71.0 (5)C14—C13—C17—C1887.4 (3)
C5—C6—C7—C20.7 (5)O7—C17—C18—C1916.0 (4)
C5—C6—C7—C8177.7 (3)C13—C17—C18—C19164.5 (3)
O1—C2—C7—C6179.3 (3)O7—C17—C18—C23165.2 (3)
C3—C2—C7—C60.3 (4)C13—C17—C18—C2314.3 (4)
O1—C2—C7—C82.7 (4)C23—C18—C19—C202.7 (5)
C3—C2—C7—C8176.9 (3)C17—C18—C19—C20176.2 (3)
C6—C7—C8—O218.1 (4)C18—C19—C20—C211.7 (7)
C2—C7—C8—O2158.6 (3)C19—C20—C21—C221.1 (8)
C6—C7—C8—C9161.3 (3)C20—C21—C22—C231.7 (7)
C2—C7—C8—C922.0 (5)C21—C22—C23—O8175.6 (4)
O2—C8—C9—C135.1 (4)C21—C22—C23—C182.7 (6)
C7—C8—C9—C13175.5 (3)C19—C18—C23—O8175.1 (3)
O2—C8—C9—C10128.6 (3)C17—C18—C23—O86.1 (4)
C7—C8—C9—C1050.8 (4)C19—C18—C23—C223.2 (5)
C13—C9—C10—O394.4 (3)C17—C18—C23—C22175.5 (3)
C8—C9—C10—O338.6 (4)C3—C2—O1—C13.9 (5)
C13—C9—C10—O484.0 (3)C7—C2—O1—C1176.5 (3)
C8—C9—C10—O4143.0 (3)O3—C10—O4—C110.3 (4)
C10—C9—C13—C1442.0 (4)C9—C10—O4—C11178.6 (3)
C8—C9—C13—C14175.0 (3)C12—C11—O4—C10168.8 (3)
C10—C9—C13—C17174.0 (3)O5—C14—O6—C150.6 (4)
C8—C9—C13—C1753.0 (4)C13—C14—O6—C15179.9 (3)
C9—C13—C14—O5104.0 (4)C16—C15—O6—C14168.7 (4)
C17—C13—C14—O530.8 (4)C22—C23—O8—C2424.9 (5)
C9—C13—C14—O675.5 (3)C18—C23—O8—C24156.8 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C21—H21···O5i0.932.563.366 (5)146
C4—H4···O7ii0.932.503.323 (4)147
C11—H11B···O3iii0.972.493.448 (5)169
Symmetry codes: (i) x+1, y+1/2, z+1/2; (ii) x+1, y+1, z+2; (iii) x+1, y+1, z+1.

Experimental details

Crystal data
Chemical formulaC24H26O8
Mr442.45
Crystal system, space groupMonoclinic, P21/c
Temperature (K)292
a, b, c (Å)7.651 (1), 28.146 (4), 10.9770 (14)
β (°) 103.214 (2)
V3)2301.2 (5)
Z4
Radiation typeMo Kα
µ (mm1)0.10
Crystal size (mm)0.30 × 0.30 × 0.20
Data collection
DiffractometerBruker SMART APEX CCD area-detector
diffractometer
Absorption correction
No. of measured, independent and
observed [I > 2σ(I)] reflections
16206, 4040, 2830
Rint0.030
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.065, 0.177, 1.09
No. of reflections4040
No. of parameters293
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.18, 0.21

Computer programs: SMART (Bruker, 2001), SAINT-Plus (Bruker, 2001), SAINT-Plus, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), PLATON (Spek, 2003), PLATON.

Selected geometric parameters (Å, º) top
C7—C81.493 (4)C13—C141.508 (4)
C8—C91.517 (4)C13—C171.513 (4)
C9—C131.429 (4)C17—C181.484 (4)
C9—C101.503 (4)
C7—C8—C9—C13175.5 (3)C8—C9—C13—C1753.0 (4)
C7—C8—C9—C1050.8 (4)C9—C13—C17—C18136.3 (3)
C8—C9—C13—C14175.0 (3)C13—C17—C18—C2314.3 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C21—H21···O5i0.932.563.366 (5)146
C4—H4···O7ii0.932.503.323 (4)147
C11—H11B···O3iii0.972.493.448 (5)169
Symmetry codes: (i) x+1, y+1/2, z+1/2; (ii) x+1, y+1, z+2; (iii) x+1, y+1, z+1.
 

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