Information card for entry 7155327

Structure parameters

• Chemical name: [2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrin chloroform solvate
• Formula: C42 H47 Cl6 N3 O
• Calculated formula: C41 H46 Cl3 N3 O
• Title of publication: Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.
• Authors of publication: Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 10523 - 10533
• a: 8.3983 ± 0.0004 Å
• b: 14.6292 ± 0.0006 Å
• c: 16.7263 ± 0.0008 Å
• α: 92.703 ± 0.003°
• β: 101.462 ± 0.003°
• γ: 104.534 ± 0.003°
• Cell volume: 1939.34 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No