Information card for entry 7214589

Structure parameters

• Formula: C23 H18.5 Cl0.5 O3
• Calculated formula: C23 H18.5 Cl0.5 O3
• Title of publication: How to monitor guest exchange in host‒guest systems
• Authors of publication: Nassimbeni, Luigi R.; Su, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7396
• a: 8.3498 ± 0.0002 Å
• b: 9.0863 ± 0.0002 Å
• c: 12.6308 ± 0.0003 Å
• α: 95.767 ± 0.001°
• β: 96.368 ± 0.001°
• γ: 110.027 ± 0.002°
• Cell volume: 884.89 ± 0.04 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No