Information card for entry 7213237

Structure parameters

• Common name: 4-(triphenylmethyl)benzoic acid xylene clathrate
• Formula: C30 H25 O2
• Calculated formula: C30 H20 O2
• Title of publication: 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis
• Authors of publication: Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 1223
• a: 7.327 ± 0.001 Å
• b: 9.042 ± 0.002 Å
• c: 18.534 ± 0.004 Å
• α: 88.09 ± 0.03°
• β: 85.07 ± 0.03°
• γ: 68.07 ± 0.03°
• Cell volume: 1134.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.2253
• Weighted residual factors for significantly intense reflections: 0.1878
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No