Information card for entry 2229136
Chemical name |
<i>rac</i>-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxamide |
Formula |
C14 H19 N O3 |
Calculated formula |
C14 H19 N O3 |
SMILES |
Cc1c2OC(C)(CCc2c(c(c1C)O)C)C(=O)N |
Title of publication |
<i>rac</i>-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxamide from synchrotron data |
Authors of publication |
Brzezinski, Krzysztof; Dauter, Zbigniew; Baj, Aneta; Wałejko, Piotr; Witkowski, Stanisław |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o503 - o504 |
a |
9.11 ± 0.01 Å |
b |
17.92 ± 0.02 Å |
c |
15.95 ± 0.01 Å |
α |
90° |
β |
100.43 ± 0.01° |
γ |
90° |
Cell volume |
2561 ± 4 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0615 |
Residual factor for significantly intense reflections |
0.0495 |
Weighted residual factors for significantly intense reflections |
0.1399 |
Weighted residual factors for all reflections included in the refinement |
0.1469 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
Diffraction radiation wavelength |
0.5904 Å |
Diffraction radiation type |
synchrotron |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2229136.html