Information card for entry 4031489

Structure parameters

• Formula: C145.43 H137.07 Cl17.36 N18 O3.21 Zn2
• Calculated formula: C145.428 H137.07 Cl17.358 N18 O3.214 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: 14.36 ± 0.003 Å
• b: 14.521 ± 0.003 Å
• c: 18.49 ± 0.004 Å
• α: 96.865 ± 0.006°
• β: 102.787 ± 0.006°
• γ: 103.857 ± 0.005°
• Cell volume: 3589.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2515
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No