Information card for entry 7101090

Structure parameters

• Common name: 1,3,5-tris(4-Iodobenzoyl)benzene
• Formula: C27 H15 I3 O3
• Calculated formula: C27 H15 I3 O3
• SMILES: O=C(c1cc(cc(c1)C(=O)c1ccc(I)cc1)C(=O)c1ccc(I)cc1)c1ccc(I)cc1
• Title of publication: Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes
• Authors of publication: F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 7.3649 ± 0.0007 Å
• b: 13.8815 ± 0.0013 Å
• c: 24.58 ± 0.002 Å
• α: 90°
• β: 92.966 ± 0.005°
• γ: 90°
• Cell volume: 2509.6 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No