Information card for entry 4511439

Structure parameters

• Formula: C37 H34 Cl4 O5
• Calculated formula: C37 H34 Cl5 O5
• 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: 23.14 ± 0.003 Å
• b: 14.94 ± 0.003 Å
• c: 9.609 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3321.9 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2544
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No