Information card for entry 2003969

Structure parameters

• Chemical name: Quinazolino[2,3-a]benzisoquinoline-2,14-dione
• Formula: C19 H10 N2 O2
• Calculated formula: C19 H10 N2 O2
• SMILES: O=C1n2c(nc3c(cccc3)c2=O)c2cccc3cccc1c23
• Title of publication: Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide
• Authors of publication: Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2157 - 2161
• a: 9.065 ± 0.002 Å
• b: 10.858 ± 0.002 Å
• c: 14.118 ± 0.003 Å
• α: 89.59 ± 0.03°
• β: 71.94 ± 0.03°
• γ: 83.63 ± 0.03°
• Cell volume: 1312.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections: 0.1982
• Weighted residual factors for significantly intense reflections: 0.1679
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No