Information card for entry 4021611
Chemical name |
10-benzyloxy-1,2,3-trimethoxy-6,7-(methylene-1,3-dioxy) anthracene |
Formula |
C25 H22 O6 |
Calculated formula |
C25 H22 O6 |
SMILES |
O1COc2c1cc1cc3c(OC)c(OC)c(OC)cc3c(OCc3ccccc3)c1c2 |
Title of publication |
Unusual Transformation of the Diarylmethanol Derivative into an Unknown 1,2,3,6,7,10-Hexahydroxylated Anthracene System |
Authors of publication |
Piotr Bałczewski; Marek Koprowski; Agnieszka Bodzioch; Bernard Marciniak; Ewa Róžycka-Sokołowska |
Journal of publication |
Journal of Organic Chemistry |
Year of publication |
2006 |
Journal volume |
71 |
Pages of publication |
2899 - 2902 |
a |
7.985 ± 0.002 Å |
b |
11.404 ± 0.002 Å |
c |
12.996 ± 0.003 Å |
α |
113.74 ± 0.03° |
β |
92.24 ± 0.03° |
γ |
104.11 ± 0.03° |
Cell volume |
1038 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0609 |
Residual factor for significantly intense reflections |
0.0549 |
Weighted residual factors for significantly intense reflections |
0.1484 |
Weighted residual factors for all reflections included in the refinement |
0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/4021611.html