Information card for entry 2007717
Common name |
Gomisin N |
Chemical name |
1,2,3,12-tetramethoxy-6,7-dimethyl- 10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene |
Formula |
C23 H28 O6 |
Calculated formula |
C23 H28 O6 |
SMILES |
c1(c(c(cc2C[C@H]([C@H](Cc3cc4c(c(c3c12)OC)OCO4)C)C)OC)OC)OC |
Title of publication |
Gomisin N |
Authors of publication |
Marek, Jaromír; Slanina, Jiří |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1998 |
Journal volume |
54 |
Journal issue |
10 |
Pages of publication |
1548 - 1550 |
a |
8.7171 ± 0.0008 Å |
b |
10.9766 ± 0.0012 Å |
c |
21.946 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2099.9 ± 0.5 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 ± 2 K |
Number of distinct elements |
3 |
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 |
0.055 |
Residual factor for significantly intense reflections |
0.036 |
Weighted residual factors for all reflections included in the refinement |
0.1 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.955 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2007717.html