Information card for entry 7050678

Structure parameters

• Formula: C149 H110 Cl10 N16 O24
• Calculated formula: C149 H58 Cl10 N16 O24
• Title of publication: Design, synthesis, structural analysis and atropoisomerisation studies of polynucleating ligands based on porphyrins bearing catechol units
• Authors of publication: Zimmer, Bertrand; Bulach, Véronique; Drexler, Cathy; Erhardt, Sabine; Hosseini, Mir Wais; De Cian, André
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 43 - 57
• a: 12.7436 ± 0.0002 Å
• b: 12.9855 ± 0.0003 Å
• c: 39.3596 ± 0.0009 Å
• α: 90°
• β: 92.368 ± 0.005°
• γ: 90°
• Cell volume: 6507.7 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.165
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.391
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections: 7.546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No