Information card for entry 7159128

Structure parameters

• Formula: C84 H96 N16 O20
• Calculated formula: C84 H96 N16 O20
• Title of publication: Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.
• Authors of publication: Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2889 - 2893
• a: 9.1606 ± 0.0002 Å
• b: 24.5485 ± 0.0006 Å
• c: 9.1691 ± 0.0002 Å
• α: 90°
• β: 100.233 ± 0.002°
• γ: 90°
• Cell volume: 2029.14 ± 0.08 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.3082
• Weighted residual factors for all reflections included in the refinement: 0.3433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No