Information card for entry 1548801

Structure parameters

• Chemical name: Naphthalene-1-carbaldehyde oxime
• Formula: C11 H9 N O
• Calculated formula: C11 H9 N O
• SMILES: O/N=C/c1cccc2ccccc12
• Title of publication: Naphthalene-1-carbaldehyde oxime
• Authors of publication: Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: x171720
• a: 6.0506 ± 0.0008 Å
• b: 13.7423 ± 0.0018 Å
• c: 20.886 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1736.7 ± 0.4 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0362
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No