Information card for entry 1503875

Structure parameters

• Formula: C23 H22 N2 O3
• Calculated formula: C23 H22 N2 O3
• SMILES: c12ccccc1[C@]13CC(=O)N([C@H]1CC=C([C@@H]3N2)C(=O)OC)Cc1ccccc1.c12ccccc1[C@@]13CC(=O)N([C@@H]1CC=C([C@H]3N2)C(=O)OC)Cc1ccccc1
• Title of publication: Sequential one-pot cyclizations: concise access to the ABCE tetracyclic framework of strychnos alkaloids.
• Authors of publication: Sirasani, Gopal; Andrade, Rodrigo B.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2085 - 2088
• a: 8.0163 ± 0.0007 Å
• b: 9.4598 ± 0.0008 Å
• c: 25.816 ± 0.002 Å
• α: 90°
• β: 93.688 ± 0.002°
• γ: 90°
• Cell volume: 1953.6 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0468
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No