Information card for entry 4114962

Structure parameters

• Formula: C21 H31.6 I N2 O1.3
• Calculated formula: C21 I N2 O1.3
• Title of publication: Enantioselective Total Syntheses of Manzamine A and Related Alkaloids
• Authors of publication: John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8584 - 8592
• a: 9.908 ± 0.004 Å
• b: 10.763 ± 0.004 Å
• c: 38.02 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4054 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.428
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No