Information card for entry 7152196

Structure parameters

• Formula: C26 H26 N2 O
• Calculated formula: C26 H26 N2 O
• SMILES: N12Cc3c(N(CC2(c2ccccc2)C(=O)C)Cc2c1ccc(c2)C)ccc(c3)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: 17.0172 ± 0.0003 Å
• b: 8.60512 ± 0.00013 Å
• c: 28.3901 ± 0.0005 Å
• α: 90°
• β: 91.4359 ± 0.0017°
• γ: 90°
• Cell volume: 4156 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0457
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No