Information card for entry 2016258

Structure parameters

• Chemical name: 2-(4-chlorophenyl)-4-methylchromenium perchlorate
• Formula: C16 H12 Cl2 O5
• Calculated formula: C16 H12 Cl2 O5
• Title of publication: Two polymorphs of 2-(4-chlorophenyl)-4-methylchromenium perchlorate
• Authors of publication: Alexander D. Roshal; Artur Sikorski; Vyacheslav N. Baumer; Alexander I. Novikov; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o626 - o630
• a: 8.0631 ± 0.0015 Å
• b: 11.873 ± 0.003 Å
• c: 16.487 ± 0.002 Å
• α: 90°
• β: 93.292 ± 0.014°
• γ: 90°
• Cell volume: 1575.7 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes