Information card for entry 4020095

Structure parameters

• Chemical name: 1,2-bis(2-methylphenyl)-1,2-bis(4-carbmethoxyphenyl)- 1,2-ethanediol
• Formula: C32 H30 O6
• Calculated formula: C32 H30 O6
• Title of publication: Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry
• Authors of publication: Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 2763 - 2770
• a: 10.1964 ± 0.0007 Å
• b: 14.2476 ± 0.0009 Å
• c: 18.0359 ± 0.0011 Å
• α: 90°
• β: 91.374 ± 0.004°
• γ: 90°
• Cell volume: 2619.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No