Information card for entry 7156447

Structure parameters

• Formula: C109 H114 Cl2 O10
• Calculated formula: C109 H114 Cl2 O10
• Title of publication: An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.
• Authors of publication: Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 7513 - 7517
• a: 19.3435 ± 0.0009 Å
• b: 25.2081 ± 0.0011 Å
• c: 20.5824 ± 0.0014 Å
• α: 90°
• β: 110.81 ± 0.008°
• γ: 90°
• Cell volume: 9381.5 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1948
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.3362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No