Information card for entry 2006060

Structure parameters

• Formula: C17 H19 N3
• Calculated formula: C17 H19 N3
• SMILES: N(c1ccccc1)(Cc1ccccc1)CC1=NCCN1
• Title of publication: Antazoline
• Authors of publication: Parvez, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 506 - 508
• a: 19.67 ± 0.006 Å
• b: 15.904 ± 0.003 Å
• c: 9.485 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2967 ± 2 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.198
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.2972
• Weighted residual factors for significantly intense reflections: 0.1289
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No