Information card for entry 1546549

Structure parameters

• Formula: C18 H19 Cl N2 O
• Calculated formula: C18 H19 Cl N2 O
• SMILES: Cl[C@H]1[C@@H]2C[C@@H]3N([C@@H](Cc4c3[nH]c3c4cccc3)[C@@H]2C=O)[C@H]1C
• Title of publication: Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria.
• Authors of publication: Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 3998 - 4001
• a: 7.9367 ± 0.0005 Å
• b: 11.4018 ± 0.0005 Å
• c: 16.9261 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1531.69 ± 0.14 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No