Information card for entry 7202523

Structure parameters

• Common name: 5-(pyridylazo)-trimethoxycalix(4)arene
• Formula: C37 H34 Cl3 N3 O4
• Calculated formula: C37 H34 Cl3 N3 O4
• Title of publication: Conformational morphosis in azocalix[4]arenes
• Authors of publication: Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 119
• a: 10.142 ± 0.006 Å
• b: 11.04 ± 0.007 Å
• c: 16.001 ± 0.01 Å
• α: 96.551 ± 0.01°
• β: 106.222 ± 0.01°
• γ: 104.465 ± 0.01°
• Cell volume: 1632.8 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No