Information card for entry 4032549

Structure parameters

• Formula: C148 H144 N34 O14 Zn2
• Calculated formula: C148 H144 N34 O14 Zn2
• Title of publication: Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.
• Authors of publication: Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 5845 - 5851
• a: 21.3227 ± 0.0007 Å
• b: 31.9115 ± 0.0012 Å
• c: 32.7689 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22297.2 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No