Information card for entry 1556961

Structure parameters

• Formula: C22 H29 N3
• Calculated formula: C22 N3
• SMILES: N1=C(C2([C@@]3(N=C(C4([C@]1(N3)C1CC1)CC4)C1CC1)C1CC1)CC2)C1CC1.N1=C(C2([C@]3(N=C(C4([C@@]1(N3)C1CC1)CC4)C1CC1)C1CC1)CC2)C1CC1
• Title of publication: Syntheses and Reactions of Some Cyclopropyl-Substituted Imines. Part 1.
• Authors of publication: Songe, Pal; Kolsaker, Per; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 790 - 796
• a: 9.381 ± 0.004 Å
• b: 10.94 ± 0.001 Å
• c: 17.856 ± 0.001 Å
• α: 90°
• β: 97.01 ± 0.01°
• γ: 90°
• Cell volume: 1818.8 ± 0.8 ų
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No