Information card for entry 2213319

Structure parameters

• Chemical name: Naphtho[2,3-<i>c</i>]pyrrole-1,3(2<i>H</i>)-dione
• Formula: C12 H7 N O2
• Calculated formula: C12 H7 N O2
• SMILES: O=C1NC(=O)c2c1cc1c(c2)cccc1
• Title of publication: Naphtho[2,3-<i>c</i>]pyrrole-1,3(2<i>H</i>)-dione
• Authors of publication: Jan Janczak; Ryszard Kubiak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2627 - o2627
• a: 8.158 ± 0.002 Å
• b: 5.644 ± 0.001 Å
• c: 19.034 ± 0.004 Å
• α: 90°
• β: 100.07 ± 0.03°
• γ: 90°
• Cell volume: 862.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes