Information card for entry 1512157

Structure parameters

• Formula: C41 H41 Cl3 O8
• Calculated formula: C41 H41 Cl3 O8
• SMILES: c1(c2cc(c(cc2c2cc(c(=O)c(cc2c1)C)OC)OC)C)OC.C(Cl)(Cl)Cl
• Title of publication: Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.
• Authors of publication: Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1358 - 1364
• a: 7.9017 ± 0.0002 Å
• b: 11.4578 ± 0.0003 Å
• c: 20.748 ± 0.0004 Å
• α: 95.7973 ± 0.0013°
• β: 98.8279 ± 0.0013°
• γ: 92.4869 ± 0.0011°
• Cell volume: 1843.38 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No