Information card for entry 4024469

Structure parameters

• Formula: C13 H23 N O
• Calculated formula: C13 H23 N O
• SMILES: O=C1N[C@]2(CC1)[C@H](CCCC2)C(C)(C)C.O=C1N[C@@]2(CC1)[C@@H](CCCC2)C(C)(C)C
• Title of publication: Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes
• Authors of publication: Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2942 - 2946
• a: 6.4933 ± 0.0013 Å
• b: 13.379 ± 0.003 Å
• c: 15.515 ± 0.003 Å
• α: 104.22 ± 0.03°
• β: 100.83 ± 0.03°
• γ: 96.08 ± 0.03°
• Cell volume: 1266.8 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No