Information card for entry 7118464

Structure parameters

• Common name: para nitro phenyl subp
• Chemical name: tict1
• Formula: C90 H72 B2 N8 O6
• Calculated formula: C90 H72 B2 N8 O6
• Title of publication: Intramolecular electron transfer reactions in meso-(4-nitrophenyl)-substituted subporphyrins.
• Authors of publication: Copley, Graeme; Oh, Juwon; Yoshida, Kota; Shimizu, Daiki; Kim, Dongho; Osuka, Atsuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1424 - 1427
• a: 14.124 ± 0.003 Å
• b: 15.235 ± 0.004 Å
• c: 17.465 ± 0.003 Å
• α: 87.755 ± 0.016°
• β: 69.97 ± 0.012°
• γ: 89.95 ± 0.02°
• Cell volume: 3527.8 ± 1.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1453
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.267
• Weighted residual factors for all reflections included in the refinement: 0.2952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No