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Information card for entry 2007459
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Coordinates | 2007459.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | cis-3,4-dihydro-2-ethoxy-4-[2-furyl]-2H,5H-pyrano[3,2-c][1]benzopyran-5-one |
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Formula | C18 H16 O5 |
Calculated formula | C18 H16 O5 |
SMILES | O1[C@@H](C[C@@H](c2c(=O)oc3ccccc3c12)c1occc1)OCC.O1[C@H](C[C@H](c2c(=O)oc3ccccc3c12)c1occc1)OCC |
Title of publication | Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives |
Authors of publication | Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 1042 - 1047 |
a | 11.987 ± 0.002 Å |
b | 10.028 ± 0.002 Å |
c | 13.413 ± 0.002 Å |
α | 90° |
β | 107.551 ± 0.008° |
γ | 90° |
Cell volume | 1537.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for all reflections | 0.101 |
Weighted residual factors for significantly intense reflections | 0.094 |
Goodness-of-fit parameter for all reflections | 0.962 |
Goodness-of-fit parameter for significantly intense reflections | 1.103 |
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/2007459.html
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