Information card for entry 2235911

Structure parameters

• Chemical name: 2,7-Dimethoxy-1-(2-naphthoyl)naphthalene
• Formula: C23 H18 O3
• Calculated formula: C23 H18 O3
• SMILES: O=C(c1c(OC)ccc2ccc(OC)cc12)c1cc2ccccc2cc1
• Title of publication: 2,7-Dimethoxy-1-(2-naphthoyl)naphthalene
• Authors of publication: Tsumuki, Takehiro; Isogai, Atsumi; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2595
• a: 11.2483 ± 0.0003 Å
• b: 12.2309 ± 0.0003 Å
• c: 12.7494 ± 0.0003 Å
• α: 90°
• β: 91.936 ± 0.001°
• γ: 90°
• Cell volume: 1753.02 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes