Information card for entry 4021586

Structure parameters

• Formula: C30 H39 N O6
• Calculated formula: C30 H39 N O6
• SMILES: O=C(N(C(C)C)C(C)C)c1c2c(OC)cccc2ccc1[C@@H](OC(=O)[C@]12OC(=O)[C@](CC1)(C2(C)C)C)C
• Title of publication: Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides
• Authors of publication: Yan Zhang; Yongqiang Wang; Wei-Min Dai
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2445 - 2455
• a: 14.0513 ± 0.0009 Å
• b: 14.5754 ± 0.0009 Å
• c: 15.3593 ± 0.0009 Å
• α: 90°
• β: 113.306 ± 0.001°
• γ: 90°
• Cell volume: 2889 ± 0.3 ų
• Cell temperature: 100 ± 1 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 significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No