Information card for entry 4037788

Structure parameters

• Common name: DGR-328A_200K
• Formula: C95.5 H58 B N6 O
• Calculated formula: C95.5 H58 B N6 O
• 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: 22.03 ± 0.002 Å
• b: 36.178 ± 0.004 Å
• c: 30.846 ± 0.003 Å
• α: 90°
• β: 96.738 ± 0.002°
• γ: 90°
• Cell volume: 24415 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.32
• Residual factor for significantly intense reflections: 0.21
• Weighted residual factors for significantly intense reflections: 0.5116
• Weighted residual factors for all reflections included in the refinement: 0.5797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No