Information card for entry 7152197

Structure parameters

• Formula: C22 H24 N2 O3
• Calculated formula: C22 H24 N2 O3
• SMILES: O(C)C(=O)C1(N2c3ccc(C)cc3CN(C1)c1c(C2)cc(cc1)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: 17.051 ± 0.002 Å
• b: 7.5405 ± 0.0006 Å
• c: 28.226 ± 0.004 Å
• α: 90°
• β: 93.201 ± 0.01°
• γ: 90°
• Cell volume: 3623.4 ± 0.7 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No