Information card for entry 2233281
Chemical name |
2,9,10‒trimethoxydibenzo[<i>b,d</i>]oxepin‒7(6<i>H</i>)‒one |
Formula |
C17 H16 O5 |
Calculated formula |
C17 H16 O5 |
SMILES |
c12ccc(cc1c1cc(c(cc1C(=O)CO2)OC)OC)OC |
Title of publication |
2,9,10-Trimethoxydibenzo[<i>b</i>,<i>d</i>]oxepin-7(6<i>H</i>)-one |
Authors of publication |
Hou, Yan-Jun; Song, Shu-Lin; Chu, Wen-Yi; Sun, Zhi-Zhong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o204 |
a |
11.5474 ± 0.001 Å |
b |
8.3776 ± 0.0007 Å |
c |
14.8801 ± 0.0013 Å |
α |
90° |
β |
93.607 ± 0.001° |
γ |
90° |
Cell volume |
1436.6 ± 0.2 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0635 |
Residual factor for significantly intense reflections |
0.0436 |
Weighted residual factors for significantly intense reflections |
0.1152 |
Weighted residual factors for all reflections included in the refinement |
0.1269 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.053 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2233281.html