Information card for entry 4114960

Structure parameters

• Formula: C25 H36 N2 O4
• Calculated formula: C25 H36 N2 O4
• SMILES: N12CCCCC=CCC[C@@]34OC(=O)N5[C@H](C[C@]([C@H]35)(C1)[C@H](C(=C4)C(OC)OC)CC2)C=C
• 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: 8.165 ± 0.002 Å
• b: 16.293 ± 0.002 Å
• c: 17.512 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.7 ± 0.8 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• 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: 0.1819
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No