Information card for entry 4121394

Structure parameters

• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• SMILES: O=C1[C@]23N(CCC[C@@]3(CCC(=O)N2c2c1cccc2)CC)C(=O)C.O=C1[C@@]23N(CCC[C@]3(CCC(=O)N2c2c1cccc2)CC)C(=O)C
• Title of publication: Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids
• Authors of publication: Zhengren Xu; Qian Wang; Jieping Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 19127 - 19130
• a: 11.54889 ± 0.00009 Å
• b: 8.77611 ± 0.00007 Å
• c: 16.11647 ± 0.00013 Å
• α: 90°
• β: 104.651 ± 0.0008°
• γ: 90°
• Cell volume: 1580.36 ± 0.02 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0855
• 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