Information card for entry 2202737

Structure parameters

• Formula: C56 H46 N4 O8
• Calculated formula: C56 H46 N4 O8
• SMILES: c12nc(=C(c3ccc([nH]3)C(=c3ccc(n3)C(=c3ccc(=C2c2ccc(OC(=O)CC)cc2)[nH]3)c2ccc(OC(=O)CC)cc2)c2ccc(OC(=O)CC)cc2)c2ccc(OC(=O)CC)cc2)cc1
• Title of publication: 5,10,15,20-Tetrakis[(4-ethylcarbonyl)oxy]phenylporphyrin
• Authors of publication: Yung-Chan Lin; Jian-Cheng Liou; Tian-Huey Lu; Fen-Ling Liao; Chung-Sun Chung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o969 - o971
• a: 9.4045 ± 0.001 Å
• b: 10.9423 ± 0.0011 Å
• c: 23.426 ± 0.0019 Å
• α: 90°
• β: 104.187 ± 0.004°
• γ: 90°
• Cell volume: 2337.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2557
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes