Information card for entry 4022909

Structure parameters

• Common name: MAGJZ01
• Formula: C21 H26 N2 O3
• Calculated formula: C21 H26 N2 O3
• SMILES: O(c1cc2N[C@@H]3[C@]4(C=CCNC(=O)C4)CC[C@H]3[C@@H](c2cc1OC)C=C)C
• Title of publication: Explorations on the Asymmetric Total Synthesis of Isoschizogamine
• Authors of publication: Jianguang Zhou; Nabi A. Magomedov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3808 - 3815
• a: 11.6107 ± 0.0011 Å
• b: 5.6461 ± 0.0005 Å
• c: 14.452 ± 0.0013 Å
• α: 90°
• β: 95.483 ± 0.002°
• γ: 90°
• Cell volume: 943.07 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No