Information card for entry 2212168

Structure parameters

• Chemical name: 2-(1-Naphthylimino)-1-acenaphthen-1-one
• Formula: C22 H13 N O
• Calculated formula: C22 H13 N O
• SMILES: C1(=N/c2cccc3c2cccc3)\C(=O)c2c3c1cccc3ccc2
• Title of publication: 2-(1-Naphthylimino)-1-acenaphthen-1-one
• Authors of publication: Silvino, Alexandre C.; Ferreira, Leonardo C.; Dias, Marcos L.; Filgueiras, Carlos Alberto L.; Hörner, Manfredo; Visentin, Lorenzo do C.; Bordinhao, Jairo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o999 - o1000
• a: 8.235 ± 0.0007 Å
• b: 15.4991 ± 0.0013 Å
• c: 11.991 ± 0.0012 Å
• α: 90°
• β: 100.387 ± 0.003°
• γ: 90°
• Cell volume: 1505.4 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes