Information card for entry 7050441

Structure parameters

• Formula: ?
• Calculated formula: C37 H36 Cl2 N2 O2
• Title of publication: Conformation of syn- and anti-phenylquinazoline calix[4]arene diethers
• Authors of publication: Simaan, Samah; Agbaria, Kasim; Thondorf, Iris; Biali, Silvio E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 236
• a: 13.031 ± 0.005 Å
• b: 13.368 ± 0.005 Å
• c: 11.333 ± 0.004 Å
• α: 108.68 ± 0.02°
• β: 111.11 ± 0.02°
• γ: 61.57 ± 0.02°
• Cell volume: 1592.7 ± 1.1 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 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 significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for significantly intense reflections: 2.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No