Information card for entry 4023244

Structure parameters

• Formula: C23 H22 N4
• Calculated formula: C23 H22 N4
• SMILES: N1(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1[C@H](N=N#N)C
• Title of publication: Investigation of a Flexible Enantiospecific Approach to Aziridines
• Authors of publication: Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1128 - 1130
• a: 8.9977 ± 0.0004 Å
• b: 8.9977 ± 0.0004 Å
• c: 40.312 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2826.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No