Information card for entry 7105617
Formula |
C19 H24 N2 O5 |
Calculated formula |
C19 H24 N2 O5 |
SMILES |
O=C([O-])c1ccc(cc1)/C=C/c1ccc(C(=O)[O-])cc1.C(CC[NH3+])[NH3+].O |
Title of publication |
A new ligand for metal-organic framework and co-crystal synthesis: mechanochemical route to rctt-1,2,3,4-tetrakis-(4'-carboxyphenyl)-cyclobutane. |
Authors of publication |
Kole, Goutam Kumar; Koh, Lip Lin; Lee, So Young; Lee, Shim Sung; Vittal, Jagadese J. |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2010 |
Journal volume |
46 |
Journal issue |
21 |
Pages of publication |
3660 - 3662 |
a |
16.0565 ± 0.0008 Å |
b |
11.7861 ± 0.0006 Å |
c |
9.6935 ± 0.0005 Å |
α |
90° |
β |
104.57 ± 0.001° |
γ |
90° |
Cell volume |
1775.44 ± 0.16 Å3 |
Cell temperature |
223 ± 2 K |
Ambient diffraction temperature |
223 ± 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 |
0.0576 |
Residual factor for significantly intense reflections |
0.0495 |
Weighted residual factors for significantly intense reflections |
0.1343 |
Weighted residual factors for all reflections included in the refinement |
0.1417 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
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/7105617.html