Information card for entry 2008528

Structure parameters

• Chemical name: naphthalene-2,3-dicarbaldehyde
• Formula: C12 H8 O2
• Calculated formula: C12 H8 O2
• SMILES: O=Cc1c(cc2ccccc2c1)C=O
• Title of publication: Naphthalene-2,3-dicarbaldehyde
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 978 - 980
• a: 3.8724 ± 0.0002 Å
• b: 12.0839 ± 0.0005 Å
• c: 18.4079 ± 0.0006 Å
• α: 90°
• β: 91.412 ± 0.002°
• γ: 90°
• Cell volume: 861.11 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.047
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.101
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No