Information card for entry 8100785
| Formula |
C13 H11 Br O5 |
| Calculated formula |
C13 H11 Br O5 |
| SMILES |
Brc1cc2C=C(C(Oc2cc1)C(=O)OC)C(=O)OC |
| Title of publication |
Crystal structure of dimethyl 6-bromo-2H-1-benzopyran-2,3-dicarboxylate, C~13~H~11~BrO~5~ |
| Authors of publication |
Ramazani, Ali; Morsali, Ali; Noshiranzadeh, Nader; Mohammadi, Bagher; Arjmandfar, Hamid; Starikova, Zoya; Yanovsky, Alex; Korlyukov, A. A. |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2002 |
| Journal volume |
217 |
| Journal issue |
4 |
| Pages of publication |
595 - 596 |
| a |
6.2993 ± 0.0007 Å |
| b |
9.7367 ± 0.0011 Å |
| c |
11.1423 ± 0.0013 Å |
| α |
104.313 ± 0.003° |
| β |
103.523 ± 0.003° |
| γ |
92.473 ± 0.003° |
| Cell volume |
640.13 ± 0.13 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8100785.html
