Information card for entry 4037791

Structure parameters

• Common name: FenilvinilSubPz
• Formula: C140 H110 B2 N12 O2
• Calculated formula: C137 H98 B2 N12 O2
• Title of publication: Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.
• Authors of publication: Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 25.0623 ± 0.0009 Å
• b: 25.2909 ± 0.0008 Å
• c: 19.4705 ± 0.0007 Å
• α: 90°
• β: 101.146 ± 0.002°
• γ: 90°
• Cell volume: 12108.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2759
• Residual factor for significantly intense reflections: 0.1651
• Weighted residual factors for significantly intense reflections: 0.3962
• Weighted residual factors for all reflections included in the refinement: 0.5012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No