Information card for entry 7129488

Structure parameters

• Formula: C23 H21 N O7
• Calculated formula: C23 H21 N O7
• Title of publication: Direct transformation of coumarins into orange-red emitting rhodols.
• Authors of publication: Vygranenko, Kateryna V.; Poronik, Yevgen M.; Bousquet, Manon H. E.; Vakuliuk, Olena; Jacquemin, Denis; Gryko, Daniel T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 10
• Pages of publication: 1542 - 1545
• a: 11.3428 ± 0.0005 Å
• b: 20.3876 ± 0.0009 Å
• c: 8.5895 ± 0.0004 Å
• α: 90°
• β: 93.145 ± 0.003°
• γ: 90°
• Cell volume: 1983.35 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2244
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No