Information card for entry 7120580

Structure parameters

• Formula: C20 H15 N O4
• Calculated formula: C20 H15 N O4
• SMILES: O1C2(NC(=O)c3c2c(OC)ccc3)c2c(O)ccc3cc(cc1c23)C
• Title of publication: Isolation, Structure Elucidation and Racemization of (+)- and (−)-Pratensilins A–C, Unprecedented Spiro Indolinone-naphthofuran Alkaloids from a Marine Streptomyces sp.
• Authors of publication: Zhang, Shumin; Yang, Qin; Guo, Lin; Zhang, Ying; Feng, Lingling; Zhou, Ling; Yang, Shengxiang; Yao, Qingshou; Pescitelli, Gennaro; Zeping, Xie
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.3534 ± 0.0002 Å
• b: 12.5563 ± 0.0002 Å
• c: 20.7245 ± 0.0004 Å
• α: 90°
• β: 98.757 ± 0.001°
• γ: 90°
• Cell volume: 3177.17 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No