Information card for entry 4511438

Structure parameters

• Formula: C56.5 H74.5 Cl3 O5.75
• Calculated formula: C56.5 H73 Cl3 O5.75
• Title of publication: Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion
• Authors of publication: Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2783
• a: 22.347 ± 0.004 Å
• b: 15.636 ± 0.003 Å
• c: 17.756 ± 0.003 Å
• α: 90°
• β: 98.506 ± 0.003°
• γ: 90°
• Cell volume: 6136 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2615
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No