Information card for entry 4116350

Structure parameters

• Common name: N-Fused
• Formula: C44 H27 Br N4
• Calculated formula: C44 H27 Br N4
• Title of publication: "N-Fused Porphyrin" from N-Confused Porphyrin
• Authors of publication: Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Takuji Ogawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 2945 - 2946
• a: 21.119 ± 0.003 Å
• b: 12.021 ± 0.004 Å
• c: 12.901 ± 0.003 Å
• α: 90°
• β: 94°
• γ: 90 ± 1°
• Cell volume: 3267.2 ± 1.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No