Information card for entry 2105590

Structure parameters

• Common name: 4,4'-dichlorobenzophenone
• Chemical name: 4,4'-dichlorobenzophenone
• Formula: C13 H8 Cl2 O
• Calculated formula: C13 H8 Cl2 O
• SMILES: O=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone
• Authors of publication: Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 799 - 806
• a: 24.527 ± 0.006 Å
• b: 6.064 ± 0.001 Å
• c: 7.457 ± 0.004 Å
• α: 90°
• β: 100.1 ± 0.02°
• γ: 90°
• Cell volume: 1091.9 ± 0.7 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1101
• Goodness-of-fit parameter for all reflections: 1.194
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No