Information card for entry 2236633

Structure parameters

• Chemical name: (3,6-Dimethoxynaphthalen-2-yl)(naphthalen-2-yl)methanone
• Formula: C23 H18 O3
• Calculated formula: C23 H18 O3
• SMILES: O=C(c1c(OC)cc2c(c1)ccc(OC)c2)c1cc2ccccc2cc1
• Title of publication: (3,6-Dimethoxynaphthalen-2-yl)(naphthalen-2-yl)methanone
• Authors of publication: Tsumuki, Takehiro; Murohashi, Shun; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2653
• a: 13.4683 ± 0.0009 Å
• b: 8.9062 ± 0.0005 Å
• c: 14.711 ± 0.0008 Å
• α: 90°
• β: 105.646 ± 0.002°
• γ: 90°
• Cell volume: 1699.22 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0415
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes