Information card for entry 2242523

Structure parameters

• Chemical name: 1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)naphthalene
• Formula: C25 H22 O
• Calculated formula: C25 H22 O
• SMILES: Cc1cc(C)ccc1c1ccc(c2c1cccc2)c1ccc(cc1)OC
• Title of publication: Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene
• Authors of publication: Mohamooda Sumaya, U.; KarunaKaran, J.; Biruntha, K.; MohanaKrishnan, A. K.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 939 - 943
• a: 9.167 ± 0.0009 Å
• b: 10.4566 ± 0.001 Å
• c: 11.2499 ± 0.0011 Å
• α: 64.707 ± 0.004°
• β: 71.312 ± 0.004°
• γ: 77.032 ± 0.004°
• Cell volume: 918.75 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1475
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes