Information card for entry 2002019

Structure parameters

• Formula: C14 H12 O
• Calculated formula: C14 H12 O
• SMILES: O=C(c1ccccc1)Cc1ccccc1
• Title of publication: Structure of 2-phenylacetophenone
• Authors of publication: Rieker, T. P.; Haltiwanger, C.; Eidman, K.; Walba, D. W.; Clark, N. A.; Larson, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 406 - 408
• a: 8.028 ± 0.004 Å
• b: 5.456 ± 0.003 Å
• c: 24.035 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1052.8 ± 0.9 ų
• Cell temperature: 223 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 2.79
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No