Information card for entry 7235943

Structure parameters

• Formula: C64 H96 O8
• Calculated formula: C64 H96 O8
• Title of publication: Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate
• Authors of publication: Al-Azemi, Talal F.; Vinodh, Mickey
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 107
• Pages of publication: 88154
• a: 12.8462 ± 0.0004 Å
• b: 25.706 ± 0.0008 Å
• c: 18.2551 ± 0.0013 Å
• α: 90°
• β: 93.941 ± 0.007°
• γ: 90°
• Cell volume: 6014 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0708
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No