Information card for entry 2003358

Structure parameters

• Formula: C17 H15 N3 O
• Calculated formula: C17 H15 N3 O
• SMILES: O=c1n2c(nc3c1cccc3)CN(C2)Cc1ccccc1
• Title of publication: Two Antithrombotic Quinazolone Derivatives
• Authors of publication: Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 723 - 726
• a: 7.423 ± 0.001 Å
• b: 20.54 ± 0.001 Å
• c: 9.1829 ± 0.0007 Å
• α: 90°
• β: 101.448 ± 0.008°
• γ: 90°
• Cell volume: 1372.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.1602
• Weighted residual factors for significantly intense reflections: 0.1454
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No