Information card for entry 2101357

Structure parameters

• Formula: C13 H8 Cl2 O
• Calculated formula: C13 H8 Cl2 O
• SMILES: O=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone
• Authors of publication: Zúñiga, F. J.; Criado, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 880 - 888
• a: 24.62 ± 0.01 Å
• b: 6.091 ± 0.001 Å
• c: 7.476 ± 0.002 Å
• α: 90°
• β: 100.14 ± 0.03°
• γ: 90°
• Cell volume: 1103.6 ± 0.6 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No