Information card for entry 2210855

Structure parameters

• Common name: Sandine
• Chemical name: Sandine
• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• SMILES: O=C1Nc2c([C@]34[C@@]1(C[C@@]1(C=CCN(CC3)[C@H]41)C=C)C(=O)OC)cccc2
• Title of publication: Sandine: a catharanthus-derived alkaloid
• Authors of publication: Jian-Ming Gu; Xiu-Rong Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4775 - o4777
• a: 13.377 ± 0.004 Å
• b: 14.905 ± 0.005 Å
• c: 18.376 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3663.9 ± 1.8 ų
• Cell temperature: 298.1 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 significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No