Information card for entry 7115647

Structure parameters

• Chemical name: porphyrin cage-1
• Formula: C118.79 H92.79 Cl26.38 N18 Zn2
• Calculated formula: C118.794 H92.794 Cl26.382 N18 Zn2
• Title of publication: Highly-efficient synthesis of covalent porphyrinic cages via DABCO-templated imine condensation reactions
• Authors of publication: Huimin Ding; Xiangshi Meng; Xu Cui; Yihui Yang; Tailin Zhou; Caixing Wang; Matthias Zeller; Cheng Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11162
• a: 18.058 ± 0.004 Å
• b: 17.549 ± 0.004 Å
• c: 21.217 ± 0.004 Å
• α: 90°
• β: 100.9 ± 0.03°
• γ: 90°
• Cell volume: 6602 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.8001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No