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Information card for entry 7228294
Preview
Coordinates | 7228294.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H14 O3 S |
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Calculated formula | C22 H14 O3 S |
SMILES | s1cccc1C1=CC(c2c(c3ccccc3oc2=O)O1)c1ccccc1 |
Title of publication | Brønsted acidic ionic liquid-catalyzed tandem reaction: an efficient approach towards regioselective synthesis of pyrano[3,2-c]coumarins under solvent-free conditions bearing lower E-factors |
Authors of publication | Majee, Adinath; Mahato, Sachinta; Santra, Sougata; Chatterjee, Rana; Zyryanov, Grigory V.; Hajra, Alakananda |
Journal of publication | Green Chem. |
Year of publication | 2017 |
a | 8.1926 ± 0.0011 Å |
b | 16.181 ± 0.002 Å |
c | 13.1852 ± 0.0018 Å |
α | 90° |
β | 104.684 ± 0.007° |
γ | 90° |
Cell volume | 1690.8 ± 0.4 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 | 0.1104 |
Residual factor for significantly intense reflections | 0.0808 |
Weighted residual factors for significantly intense reflections | 0.2299 |
Weighted residual factors for all reflections included in the refinement | 0.2619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.482 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7228294.html
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