Information card for entry 2238309

Structure parameters

• Chemical name: (Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone
• Formula: C28 H22 O2
• Calculated formula: C28 H22 O2
• SMILES: O=C(c1ccccc1C(=O)c1cccc2c1cccc2)c1ccc2c(c1)CCCC2
• Title of publication: (Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone
• Authors of publication: Kanchanadevi, J.; Anbalagan, G.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1201
• a: 10.5625 ± 0.0005 Å
• b: 13.6374 ± 0.0008 Å
• c: 14.4927 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2087.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes