Information card for entry 4322818

Structure parameters

• Common name: bis(t-butylbenzo)benzo-21-crown-7
• Formula: C34 H44 O7
• Calculated formula: C34 H44 O7
• Title of publication: Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-71a
• Authors of publication: Jeffrey C. Bryan; Richard A. Sachleben; Jérôme M. Lavis; Matthew C. Davis; John H. Burns; Benjamin P. Hay
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2749 - 2755
• a: 16.427 ± 0.002 Å
• b: 11.3675 ± 0.0009 Å
• c: 33.137 ± 0.003 Å
• α: 90°
• β: 94.469 ± 0.008°
• γ: 90°
• Cell volume: 6169 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No