Information card for entry 2101495

Structure parameters

• Formula: C21 H23 N3 O2
• Calculated formula: C21 H23 N3 O2
• SMILES: N1(C(=O)N=C(C1(O)c1ccccc1)NC1CCCCC1)c1ccccc1
• Title of publication: The crystal packing modes of three sterically overcrowded imidazole derivatives
• Authors of publication: André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 369 - 375
• a: 34.845 ± 0.009 Å
• b: 10.013 ± 0.004 Å
• c: 10.918 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3809 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No