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Information card for entry 7214920
Preview
Coordinates | 7214920.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H68 N20 O29 |
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Calculated formula | C44 H42 N20 O16 |
SMILES | C1(=O)N2C3C4N1CN1C(=O)N5C6C1N1CN4C(=O)N3CN3C(=O)N4C7C3N(C(=O)N7CN3C7C8N(C(=O)N7C4)CN4C(=O)N(CN6C1=O)C1N(C5)C(=O)N(CN8C3=O)C41)C2.Oc1ccc(cc1)C(=O)O.Oc1ccc(cc1)C(=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 | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0496 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1282 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/7214920.html
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Users of the data should acknowledge the original authors of the
structural data.