Information card for entry 2230355
Chemical name |
9-[(2-Chlorobenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one |
Formula |
C29 H28 Cl N O7 |
Calculated formula |
C29 H28 Cl N O7 |
SMILES |
Clc1c(CN[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](c3c2cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)cccc1 |
Title of publication |
9-[(2-Chlorobenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one |
Authors of publication |
Zhu, Tie-Liang; Jin, Jie-Ru; Chen, Hong; Chen, Li-Ting; Liu, Jing |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1491 |
a |
10.0971 ± 0.0014 Å |
b |
15.264 ± 0.002 Å |
c |
16.22 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2499.9 ± 0.6 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.034 |
Residual factor for significantly intense reflections |
0.0313 |
Weighted residual factors for significantly intense reflections |
0.0643 |
Weighted residual factors for all reflections included in the refinement |
0.0655 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2230355.html