Information card for entry 8101563

Structure parameters

• Formula: C27 H18 O3
• Calculated formula: C27 H18 O3
• SMILES: O=C(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 1,3,5-tribenzoylbenzene, C~27~H~18~O~3~
• Authors of publication: Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 487 - 489
• a: 7.799 ± 0.002 Å
• b: 12.019 ± 0.002 Å
• c: 21.665 ± 0.003 Å
• α: 94.11 ± 0.02°
• β: 97.59 ± 0.02°
• γ: 91.29 ± 0.02°
• Cell volume: 2006.8 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1295
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No