Information card for entry 4323743

Structure parameters

• Common name: HEtTPP
• Chemical name: 2,3,7,8,12,13-Hexaethyl-5,10,15,20-tetraphenylporphyrin
• Formula: C57.3 H56.6 Cl2.6 N4
• Calculated formula: C57.3 H54 Cl2.6 N4
• Title of publication: Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution
• Authors of publication: Mathias O. Senge; Werner W. Kalisch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 6103 - 6116
• a: 11.274 ± 0.004 Å
• b: 17.186 ± 0.007 Å
• c: 25.339 ± 0.009 Å
• α: 90°
• β: 98.51 ± 0.03°
• γ: 90°
• Cell volume: 4856 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1617
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections: 0.2895
• Weighted residual factors for significantly intense reflections: 0.2241
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No