Information card for entry 1512160

Structure parameters

• Formula: C30 H45 N O2 S
• Calculated formula: C30 H45 N O2 S
• SMILES: S(=O)(C)C.O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3Cc4c([nH]c5ccccc45)[C@]23C)[C@@]1(CCC=C(C)C)C
• Title of publication: Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.
• Authors of publication: Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1328 - 1336
• a: 8.1683 ± 0.0002 Å
• b: 12.8017 ± 0.0004 Å
• c: 26.8302 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.58 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No