Information card for entry 7125848

Structure parameters

• Formula: C37 H47 N10 O8
• Calculated formula: C37 H47 N10 O8
• Title of publication: Fused bis-azacalixphyrin that reaches NIR-II absorptions.
• Authors of publication: Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Pascal, Simon; Galiana, Joachim; Giorgi, Michel; Chen, Zhongrui; Jacquemin, Denis; Siri, Olivier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 896 - 899
• a: 10.993 ± 0.0003 Å
• b: 12.9694 ± 0.0004 Å
• c: 14.3295 ± 0.0007 Å
• α: 94.206 ± 0.003°
• β: 106.083 ± 0.003°
• γ: 103.833 ± 0.003°
• Cell volume: 1884.65 ± 0.13 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 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: 0.0753
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No