Information card for entry 2014255

Structure parameters

• Chemical name: p-iodoacetophenone polymorph A
• Formula: C8 H7 I O
• Calculated formula: C8 H7 I O
• SMILES: Ic1ccc(cc1)C(=O)C
• Title of publication: <i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone
• Authors of publication: Britton, Doyle; Brennessel, William W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o552 - o556
• a: 19.425 ± 0.005 Å
• b: 7.049 ± 0.002 Å
• c: 5.8769 ± 0.0015 Å
• α: 90°
• β: 94.41 ± 0.01°
• γ: 90°
• Cell volume: 802.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes