Information card for entry 2007520

Structure parameters

• Chemical name: 5-(1-naphthyl)-3,5-diphenyl-4-oxa- tricyclo[7.4.0.0^2,6^]trideca-7,9,11,13-tetraen-3-ol
• Formula: C34 H26 O2
• Calculated formula: C34 H26 O2
• SMILES: O[C@@]1(O[C@@]([C@@H]2[C@@H]1c1ccccc1C=C2)(c1c2ccccc2ccc1)c1ccccc1)c1ccccc1
• Title of publication: α-Naphthyl Phenyl Pinacols
• Authors of publication: Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1148 - 1151
• a: 11.072 ± 0.002 Å
• b: 11.4926 ± 0.0003 Å
• c: 18.9075 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2405.9 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections: 1.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes