Information card for entry 4117055

Structure parameters

• Common name: octaehthylporphyrin diacid, perchlorate salt
• Formula: C144 H192 Cl8 N16 O32
• Calculated formula: C144 H192 Cl8 N16 O32
• Title of publication: An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids
• Authors of publication: Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 10732 - 10742
• a: 17.221 ± 0.004 Å
• b: 13.147 ± 0.001 Å
• c: 17.332 ± 0.003 Å
• α: 90°
• β: 106.29 ± 0.01°
• γ: 90°
• Cell volume: 3766.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 127 ± 1 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: 0.1317
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.1898
• Weighted residual factors for significantly intense reflections: 0.154
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No