Information card for entry 4110354

Structure parameters

• Formula: C66 H71 N9 O18 P2
• Calculated formula: C66 H69 N9 O18 P2
• Title of publication: Polyhydroxylated Sapphyrins: Multisite Non-metallic Catalysts for Activated Phosphodiester Hydrolysis
• Authors of publication: Vladimír Král; Kamil Lang; Jarmila Králová; Michal Dvořák; Pavel Martásek; Aileen O. Chin; Andrei Andrievsky; Vincent Lynch; Jonathan L. Sessler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 432 - 437
• a: 10.116 ± 0.005 Å
• b: 11.457 ± 0.005 Å
• c: 27.94 ± 0.02 Å
• α: 85.3 ± 0.05°
• β: 80.73 ± 0.05°
• γ: 79.2 ± 0.04°
• Cell volume: 3135 ± 3 ų
• Cell temperature: 188 K
• Ambient diffraction temperature: 188 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: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No