Information card for entry 1512161

Structure parameters

• Formula: C30 H46 N O2 S
• Calculated formula: C30 H46 N O2 S
• SMILES: N1c2ccccc2[C@@H]2C[C@@H]3CC[C@H]4[C@@](CCC=C(C)C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(C)[C@H]12.O=S(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: 8.1634 ± 0.0005 Å
• b: 12.7824 ± 0.0008 Å
• c: 26.7737 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2793.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No