Information card for entry 4020097

Structure parameters

• Chemical name: 2-(2-formyl-benzyl)benzoic acid methyl ester
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• 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: 7.727 ± 0.0004 Å
• b: 9.1842 ± 0.0005 Å
• c: 11.0217 ± 0.0005 Å
• α: 112.124 ± 0.001°
• β: 109.389 ± 0.001°
• γ: 91.253 ± 0.001°
• Cell volume: 673.76 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No