Information card for entry 2003357

Structure parameters

• Formula: C25 H25 N3 O
• Calculated formula: C25 H25 N3 O
• SMILES: O=c1n(c(nc2c1cccc2)C(Nc1c(ccc(c1)C)C)C)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: 19.053 ± 0.006 Å
• b: 11.451 ± 0.003 Å
• c: 19.309 ± 0.003 Å
• α: 90°
• β: 96.62 ± 0.02°
• γ: 90°
• Cell volume: 4184.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.2101
• Weighted residual factors for significantly intense reflections: 0.1641
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No