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Information card for entry 7214922
Preview
Coordinates | 7214922.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 N25 O20 |
---|---|
Calculated formula | C44 H42 N20 O33 |
SMILES | C1(=O)N2C3N4C(=O)N5CN6C(=O)N7CN8C(=O)N9CN%10C%11C%12N(C(=O)N%11CN%11C(=O)N(CN%13C(=O)N(CN1C35)C6C7%13)C8C9%11)CN1C3N(C(=O)N(C4)C3N(C1=O)C2)CN%12C%10=O.OC(=O)c1ccc(O)cc1.O.O.O.O.O.O.O.O.O.O.O=C(O)c1ccc(O)cc1.O.O.O.O.O.O.O |
Title of publication | p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril |
Authors of publication | Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 23 |
Pages of publication | 8049 |
a | 15.8841 ± 0.0018 Å |
b | 12.4803 ± 0.0014 Å |
c | 14.1747 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2810 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1823 |
Weighted residual factors for all reflections included in the refinement | 0.1874 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7214922.html
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.