Information card for entry 4506876

Structure parameters

• Formula: C22.5 H20.5 Cl0.5 O
• Calculated formula: C22.504 H20.512 Cl0.496 O
• 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: 7.4976 ± 0.0007 Å
• b: 8.1301 ± 0.0007 Å
• c: 15.2759 ± 0.0013 Å
• α: 97.497 ± 0.001°
• β: 101.212 ± 0.001°
• γ: 103.222 ± 0.001°
• Cell volume: 874.13 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No