Information card for entry 7152198

Structure parameters

• Formula: C24 H28 N2 O3
• Calculated formula: C24 H28 N2 O3
• SMILES: O(C(C)C)C(=O)C1(N2Cc3cc(C)ccc3N(C1)Cc1c2ccc(c1)C)C(=O)C
• Title of publication: Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.
• Authors of publication: Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 966 - 969
• a: 14.113 ± 0.006 Å
• b: 14.919 ± 0.005 Å
• c: 19.801 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4169 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No