Information card for entry 2010475

Structure parameters

• Formula: C17 H14 N6 O
• Calculated formula: C17 H14 N6 O
• SMILES: N1CCN2c3c(ncn3c3ccccc3C=12)c1onc(n1)C1CC1
• Title of publication: The Novel GABA~A~ Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-<i>a</i>:1',2'-<i>c</i>]quinazoline
• Authors of publication: Palmer, R. A.; Janes, R. W.; Corper, A. L.; Lisgarten, J. N.; Hansen, H. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 318 - 322
• a: 8.693 ± 0.003 Å
• b: 26.794 ± 0.007 Å
• c: 12.534 ± 0.005 Å
• α: 90°
• β: 93.08 ± 0.03°
• γ: 90°
• Cell volume: 2915.2 ± 1.7 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.1014
• Goodness-of-fit parameter for all reflections: 3.951
• Goodness-of-fit parameter for significantly intense reflections: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No