Information card for entry 4033691

Structure parameters

• Formula: C26 H19 N O4
• Calculated formula: C26 H19 N O4
• SMILES: O1c2cc(N(C)C)ccc2C2(OC(=O)c3c2cccc3)c2c3cc(O)ccc3ccc12
• Title of publication: Altering Fundamental Trends in the Emission of Xanthene Dyes.
• Authors of publication: Wang, Lei G.; Munhenzva, Ian; Sibrian-Vazquez, Martha; Escobedo, Jorge O.; Kitts, Catherine H.; Fronczek, Frank R.; Strongin, Robert M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 2585 - 2595
• a: 13.6561 ± 0.0014 Å
• b: 7.5404 ± 0.001 Å
• c: 20.07 ± 0.002 Å
• α: 90°
• β: 106.046 ± 0.005°
• γ: 90°
• Cell volume: 1986.1 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No