Information card for entry 7107715

Structure parameters

• Formula: C200 H213 Cl15 N18 O21 Zn2
• Calculated formula: C190 H188 N18 O16 Zn2
• Title of publication: Templated synthesis of a large and flexible covalent porphyrinic cage bearing orthogonal recognition sites
• Authors of publication: Julien Taesch; Valerie Heitz; Filip Topic; Kari Rissanen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5118
• a: 36.835 ± 0.003 Å
• b: 27.126 ± 0.002 Å
• c: 22.4881 ± 0.0012 Å
• α: 90°
• β: 103.306 ± 0.003°
• γ: 90°
• Cell volume: 21867 ± 3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.3017
• Residual factor for significantly intense reflections: 0.1686
• Weighted residual factors for significantly intense reflections: 0.4118
• Weighted residual factors for all reflections included in the refinement: 0.4577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No