Information card for entry 1512159

Structure parameters

• Formula: C27 H35 N O2
• Calculated formula: C27 H35 N O2
• SMILES: [nH]1c2ccccc2c2C[C@@H]3CC[C@H]4C5=CC[C@H](O[C@H]5CC[C@@]4([C@]3(c12)C)C)C(O)(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: 11.6639 ± 0.0011 Å
• b: 24.764 ± 0.002 Å
• c: 7.7832 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2248.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No