Information card for entry 2229742

Structure parameters

• Chemical name: [3-Hydroxymethyl-1,4-bis(4-methylphenyl)naphthalen-2-yl]methanol
• Formula: C26 H24 O2
• Calculated formula: C26 H24 O2
• SMILES: c1cccc2c1c(c(c(c2c1ccc(cc1)C)CO)CO)c1ccc(cc1)C
• Title of publication: [3-Hydroxymethyl-1,4-bis(4-methylphenyl)naphthalen-2-yl]methanol
• Authors of publication: Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o931
• a: 6.3525 ± 0.0003 Å
• b: 10.0192 ± 0.0004 Å
• c: 16.4654 ± 0.0007 Å
• α: 77.723 ± 0.002°
• β: 81.87 ± 0.002°
• γ: 78.108 ± 0.002°
• Cell volume: 996.8 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes