Information card for entry 2236001

Structure parameters

• Chemical name: 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one‒ 6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one (19/1)
• Formula: C20 H19.95 Cl0.05 O3
• Calculated formula: C20 H19.947 Cl0.053 O3
• Title of publication: 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one‒6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one (19/1)
• Authors of publication: Barot, Vijay M.; Jotani, Mukesh M.; Maheta, Jeshal G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2582 - o2583
• a: 9.0371 ± 0.0002 Å
• b: 9.6216 ± 0.0002 Å
• c: 11.0308 ± 0.0003 Å
• α: 75.171 ± 0.002°
• β: 65.865 ± 0.002°
• γ: 69.833 ± 0.001°
• Cell volume: 814.2 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes