Information card for entry 7235939

Structure parameters

• Formula: C60 H80 O8
• Calculated formula: C60 H80 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: 44.873 ± 0.002 Å
• b: 16.4811 ± 0.001 Å
• c: 16.1764 ± 0.0011 Å
• α: 90°
• β: 103.144 ± 0.007°
• γ: 90°
• Cell volume: 11649.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No