Information card for entry 2242381

Structure parameters

• Common name: <i>E</i>-phenanthrene-9-carbaldehyde oxime
• Chemical name: (<i>E</i>)-Phenanthrene-9-carbaldehyde oxime
• Formula: C15 H11 N O
• Calculated formula: C15 H11 N O
• SMILES: O/N=C/c1cc2ccccc2c2ccccc12
• Title of publication: Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime
• Authors of publication: Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 332 - 336
• a: 8.2397 ± 0.0008 Å
• b: 4.9728 ± 0.0005 Å
• c: 13.9332 ± 0.0014 Å
• α: 90°
• β: 106.68 ± 0.007°
• γ: 90°
• Cell volume: 546.88 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes