Information card for entry 4031490

Structure parameters

• Formula: C117.72 H89.72 Cl17.16 N18 Zn2
• Calculated formula: C117.72 H89.72 Cl17.16 N18 Zn2
• Title of publication: Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.
• Authors of publication: Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 18
• Pages of publication: 9360 - 9364
• a: 14.171 ± 0.003 Å
• b: 14.945 ± 0.003 Å
• c: 17.378 ± 0.003 Å
• α: 93.35 ± 0.03°
• β: 111.87 ± 0.03°
• γ: 115.3 ± 0.03°
• Cell volume: 2982.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No