Information card for entry 4506865

Structure parameters

• Formula: C23 H16 Cl2 O2
• Calculated formula: C23 H16 Cl2 O2
• Title of publication: Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones
• Authors of publication: Nath, Naba K.; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5411
• a: 7.222 ± 0.002 Å
• b: 12.034 ± 0.004 Å
• c: 12.859 ± 0.004 Å
• α: 102.963 ± 0.005°
• β: 102.42 ± 0.005°
• γ: 92.363 ± 0.005°
• Cell volume: 1058.9 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No