Information card for entry 2003047

Structure parameters

• Chemical name: 4'-ethoxycarbonyl-2,4,6-triisopropylbenzophenone
• Formula: C25 H32 O3
• Calculated formula: C25 H32 O3
• SMILES: O=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(cc1)C(=O)OCC
• Title of publication: Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
• Authors of publication: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 895 - 906
• a: 10.83 ± 0.002 Å
• b: 12.717 ± 0.002 Å
• c: 9.379 ± 0.001 Å
• α: 104.53 ± 0.01°
• β: 99.15 ± 0.01°
• γ: 105.14 ± 0.01°
• Cell volume: 1171.6 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No