Information card for entry 4027323

Structure parameters

• Formula: C35 H33 N O2
• Calculated formula: C35 H33 N O2
• SMILES: N1([C@@H](c2c(c3c(C1)ccc1c3cccc1)c1c(cc2)cccc1)C)[C@@H]1[C@@H](OC(OC1)(C)C)c1ccccc1
• Title of publication: Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism
• Authors of publication: Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6128 - 6138
• a: 11.198 ± 0.003 Å
• b: 12.171 ± 0.003 Å
• c: 19.804 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699.1 ± 1.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No