Information card for entry 2015771
Chemical name |
4,4'-(fluorene-9,9-diyl)diphenol‒6-methyl-2H-pyridone‒water (1/3/3) |
Formula |
C43 H45 N3 O8 |
Calculated formula |
C43 H45 N3 O8 |
SMILES |
Oc1ccc(cc1)C1(c2ccc(O)cc2)c2ccccc2c2c1cccc2.O=c1[nH]c(ccc1)C.O=c1[nH]c(ccc1)C.O=c1[nH]c(ccc1)C.O.O.O |
Title of publication |
Cocrystals composed of 4,4'-(fluorene-9,9-diyl)diphenol and 6-methyl-2<i>H</i>-pyridone |
Authors of publication |
Lavy, T.; Meirovich, N.; Sparkes, H. A.; Howard, J. A. K.; Kaftory, M. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o89 - o92 |
a |
14.432 ± 0.004 Å |
b |
14.665 ± 0.005 Å |
c |
35.675 ± 0.01 Å |
α |
90° |
β |
90.133 ± 0.014° |
γ |
90° |
Cell volume |
7550 ± 4 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0755 |
Residual factor for significantly intense reflections |
0.0551 |
Weighted residual factors for significantly intense reflections |
0.1078 |
Weighted residual factors for all reflections included in the refinement |
0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.277 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2015771.html