Information card for entry 2019599

Structure parameters

• Chemical name: 8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide
• Formula: C43 H28 N4 O3
• Calculated formula: C42.9998 H28 N3.9998 O2.9996
• Title of publication: Oxazolochlorins. 14. 8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide
• Authors of publication: Zeller, Matthias; Banerjee, Subhadeep; Brückner, Christian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 707 - 711
• a: 6.3512 ± 0.0012 Å
• b: 10.405 ± 0.002 Å
• c: 12.464 ± 0.002 Å
• α: 95.548 ± 0.003°
• β: 99.348 ± 0.003°
• γ: 100.2 ± 0.003°
• Cell volume: 793.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes