Information card for entry 7125363

Structure parameters

• Formula: C96 H92 F12 N8 O28 S4
• Calculated formula: C96 H92 F12 N8 O28 S4
• Title of publication: Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.
• Authors of publication: Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 2992 - 2995
• a: 33.668 ± 0.002 Å
• b: 33.668 ± 0.002 Å
• c: 33.668 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38164 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 213
• Hermann-Mauguin space group symbol: P 41 3 2
• Hall space group symbol: P 4bd 2ab 3
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.3122
• Weighted residual factors for all reflections included in the refinement: 0.3369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.7015 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No