Information card for entry 1502814

Structure parameters

• Common name: Alstolucine B
• Formula: C20 H22 N2 O3
• Calculated formula: C20 H22 N2 O3
• SMILES: [C@@H]12[C@@]3([C@@H]4C[C@H]([C@@H]1C(=O)OC)[C@H](C(=O)C)CN4CC3)c1ccccc1N2
• Title of publication: Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine.
• Authors of publication: Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 1891 - 1897
• a: 7.8037 ± 0.0001 Å
• b: 11.7086 ± 0.0002 Å
• c: 18.3534 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1676.96 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No