Information card for entry 2003045

Structure parameters

• Chemical name: 4'-chloroformyl-2,4,6-triisopropylbenzophenone
• Formula: C23 H27 Cl O2
• Calculated formula: C23 H27 Cl0.735 O2.562
• SMILES: O=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(cc1)C(=O)Cl
• 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: 17.466 ± 0.002 Å
• b: 20.537 ± 0.002 Å
• c: 11.749 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4214.4 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes