Information card for entry 4111540

Structure parameters

• Formula: C20 H42 N4
• Calculated formula: C20 H42 N4
• SMILES: C(=N\C(C)C)(\C(=N/C(C)C)N(C(C)C)C(C)C)/N(C(C)C)C(C)C
• Title of publication: Evidence for Radical Fragmentations from Persistent Singlet Carbenes
• Authors of publication: Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3292 - 3293
• a: 11.795 ± 0.003 Å
• b: 12.267 ± 0.003 Å
• c: 16.109 ± 0.004 Å
• α: 90°
• β: 105.034 ± 0.005°
• γ: 90°
• Cell volume: 2251 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No