Information card for entry 2224383

Structure parameters

• Chemical name: 5,10,10,15,20,20-hexamethyl-5,10,15,20,22,24-hexahydroporphyrin 5,15-diethyl diester
• Formula: C32 H40 N4 O4
• Calculated formula: C32 H40 N4 O4
• Title of publication: 5,10,10,15,20,20-Hexamethylcalix[4]pyrrole 5,15-diethyl diester
• Authors of publication: Aydogan, Abdullah; Akar, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3157
• a: 10.4392 ± 0.0003 Å
• b: 11.6453 ± 0.0003 Å
• c: 24.0488 ± 0.0007 Å
• α: 90°
• β: 95.38 ± 0.002°
• γ: 90°
• Cell volume: 2910.68 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1731
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes