Information card for entry 2101497

Structure parameters

• Formula: C19 H21 N3
• Calculated formula: C19 H21 N3
• SMILES: CC(Nc1ncn(c1c1ccccc1)c1ccccc1)(C)C
• 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: 16.607 ± 0.002 Å
• b: 11.427 ± 0.003 Å
• c: 9.668 ± 0.002 Å
• α: 90 ± 0.02°
• β: 114.38 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 1671.1 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 4.52
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No