Information card for entry 4133864

Structure parameters

• Formula: C72 H68 Cl12 N6 O12
• Calculated formula: C72 H68 Cl12 N6 O12
• Title of publication: Phenazine-1,6-dicarboxamides: redox-responsive molecular switches.
• Authors of publication: Yin, Jingwei; Khalilov, Ali N.; Muthupandi, Pandi; Ladd, Ruby; Birman, Vladimir B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 9.3674 ± 0.0005 Å
• b: 14.1728 ± 0.0007 Å
• c: 15.4346 ± 0.0009 Å
• α: 102.3 ± 0.003°
• β: 103.122 ± 0.003°
• γ: 107.338 ± 0.003°
• Cell volume: 1816.05 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No