Information card for entry 7125362

Structure parameters

• Formula: C92 H90 N8 O16
• Calculated formula: C92 H90 N8 O16
• 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: 13.051 ± 0.014 Å
• b: 18.73 ± 0.02 Å
• c: 19.67 ± 0.02 Å
• α: 90°
• β: 90.889 ± 0.01°
• γ: 90°
• Cell volume: 4808 ± 9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No