Information card for entry 3500028

Structure parameters

• Common name: 2-Formylnaphthalene
• Chemical name: 2-Naphthalenecarboxaldehyde
• Formula: C11 H8 O
• Calculated formula: C11 H8 O
• SMILES: O=Cc1ccc2ccccc2c1
• Title of publication: 2-Naphthalenecarboxaldehyde
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 6.3287 ± 0.0004 Å
• b: 7.4523 ± 0.0004 Å
• c: 16.8507 ± 0.001 Å
• α: 90°
• β: 92.703 ± 0.004°
• γ: 90°
• Cell volume: 793.85 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0648
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes