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Information card for entry 7129488
Preview
Coordinates | 7129488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 N O7 |
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Calculated formula | C23 H21 N O7 |
SMILES | N12CCCc3c1c(CCC2)c1OC(=O)C2C=C(/C(OC=2c1c3)=C/C(=O)OC)C(=O)OC |
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 Å3 |
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 |
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