Information card for entry 1511946

Structure parameters

• Formula: C27 H33 N3 O4
• Calculated formula: C27 H33 N3 O4
• SMILES: [nH]1c2c3C=CC(Oc3ccc2c2C[C@@]34NC(=O)[C@@]5(N(C3=O)CCC5)C[C@@H]4C(c12)(C)C)(C)C.OC
• Title of publication: Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis
• Authors of publication: Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2168
• a: 10.8673 ± 0.0011 Å
• b: 8.4827 ± 0.0007 Å
• c: 13.5712 ± 0.0013 Å
• α: 90°
• β: 108.588 ± 0.001°
• γ: 90°
• Cell volume: 1185.79 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No