Information card for entry 2015244

Structure parameters

• Common name: Tetrakis(4-methoxycarbonylphenyl)porphyrin
• Chemical name: Tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoate
• Formula: C63.42 H47.52 N5.9 O11.81
• Calculated formula: C63.424 H47.52 N5.904 O11.808
• Title of publication: Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions
• Authors of publication: Sankar Muniappan; Sophia Liptsman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m140 - m143
• a: 32.6249 ± 0.0008 Å
• b: 7.0657 ± 0.0002 Å
• c: 23.516 ± 0.0008 Å
• α: 90°
• β: 100.292 ± 0.0009°
• γ: 90°
• Cell volume: 5333.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes