Information card for entry 4323739

Structure parameters

• Common name: trans-TEt-TPP
• Chemical name: 2,3,12,13-Tetraethyl-5,10,15,20-tetraphenylporphyrin
• Formula: C53 H48 Cl2 N4
• Calculated formula: C53 H26 Cl2 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: 13.531 ± 0.006 Å
• b: 28.172 ± 0.011 Å
• c: 12.184 ± 0.004 Å
• α: 90°
• β: 112.55 ± 0.03°
• γ: 90°
• Cell volume: 4289 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1746
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections: 0.3093
• Weighted residual factors for significantly intense reflections: 0.2641
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.162
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No