Information card for entry 1511847

Structure parameters

• Formula: C27 H29 N5 O5
• Calculated formula: C27 H29 N5 O5
• SMILES: O=C1N2[C@@H](N[C@H]1C(C)C)[C@]1(O[C@]3(NC(=O)[C@H](n4c(=O)c5ccccc5nc34)C1)C)c1ccccc21.OC
• Title of publication: Structure and Absolute Configuration of Fumiquinazoline L, an Alkaloid from a Gorgonian-DerivedScopulariopsissp. Fungus
• Authors of publication: Shao, Chang-Lun; Xu, Ru-Fang; Wei, Mei-Yan; She, Zhi-Gang; Wang, Chang-Yun
• Journal of publication: Journal of Natural Products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 779
• a: 11.3275 ± 0.0002 Å
• b: 7.8127 ± 0.0001 Å
• c: 13.6034 ± 0.0002 Å
• α: 90°
• β: 90.954 ± 0.001°
• γ: 90°
• Cell volume: 1203.71 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No