Information card for entry 2227391

Structure parameters

• Chemical name: (2-Hydroxy-7-methoxynaphthalen-1-yl)(4-methylphenyl)methanone
• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: Oc1c(c2c(cc1)ccc(OC)c2)C(=O)c1ccc(cc1)C
• Title of publication: (2-Hydroxy-7-methoxynaphthalen-1-yl)(4-methylphenyl)methanone
• Authors of publication: Nagasawa, Atsushi; Mitsui, Ryosuke; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2820 - o2821
• a: 11.1599 ± 0.0002 Å
• b: 6.05387 ± 0.00011 Å
• c: 22.0153 ± 0.0004 Å
• α: 90°
• β: 90.317 ± 0.001°
• γ: 90°
• Cell volume: 1487.34 ± 0.05 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: 0.0407
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes