Information card for entry 7122492

Structure parameters

• Formula: C24 H32 N2 O4
• Calculated formula: C24 H32 N2 O4
• Title of publication: Revisiting the intense NIR active bronzaphyrin, a 26-π aromatic expanded porphyrin: synthesis and structural analysis.
• Authors of publication: Kishore, M. V. Nanda; Panda, Pradeepta K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 93
• Pages of publication: 13135 - 13138
• a: 13.47 ± 0.003 Å
• b: 15.343 ± 0.003 Å
• c: 12.671 ± 0.003 Å
• α: 90°
• β: 113.48 ± 0.03°
• γ: 90°
• Cell volume: 2401.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No