Information card for entry 1505796

Structure parameters

• Chemical name: 14-benzyl-6,11-dihydroxy-5,7,13-trimethyl-12-methylene- 5,6,7,8,10a,11,12,13,13a,14,15,16-dodecahydro-2H- oxacyclododecino[2,3-d]isoindole-2,16-dione
• Formula: C29 H38 N O6
• Calculated formula: C29 H38 N O6
• SMILES: O1C(=O)/C=C/[C@@H]([C@@H]([C@H](CC=C[C@H]2[C@@H](C(=C)[C@H]([C@H]3[C@@H](NC(=O)[C@@]123)Cc1ccccc1)C)O)C)O)C.OC
• Title of publication: 10-Phenyl-[12]-cytochalasins Z7, Z8, and Z9 from the marine-derived fungus Spicaria elegans.
• Authors of publication: Liu, Rui; Gu, Qianqun; Zhu, Weiming; Cui, Chengbin; Fan, Guotao; Fang, Yuchun; Zhu, Tianjiao; Liu, Hongbing
• Journal of publication: Journal of natural products
• Year of publication: 2006
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 871 - 875
• a: 7.477 ± 0.0015 Å
• b: 11.075 ± 0.002 Å
• c: 33.972 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.1 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No