Information card for entry 2007460
Chemical name |
cis-3,4-dihydro-2-ethoxy-4-phenyl-2H,5H-pyrano[3,2-c][1]benzopyran-5-one |
Formula |
C20 H18 O4 |
Calculated formula |
C20 H18 O4 |
SMILES |
O1[C@@H](C[C@@H](c2c(=O)oc3ccccc3c12)c1ccccc1)OCC.O1[C@H](C[C@H](c2c(=O)oc3ccccc3c12)c1ccccc1)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 |
11.682 ± 0.001 Å |
b |
11.101 ± 0.001 Å |
c |
12.61 ± 0.001 Å |
α |
90° |
β |
93.66 ± 0.01° |
γ |
90° |
Cell volume |
1632 ± 0.2 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 |
0.069 |
Residual factor for significantly intense reflections |
0.037 |
Weighted residual factors for all reflections |
0.096 |
Weighted residual factors for significantly intense reflections |
0.087 |
Goodness-of-fit parameter for all reflections |
0.922 |
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 |
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