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Information card for entry 7214761
Preview
Coordinates | 7214761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H66 N2 O7 |
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Calculated formula | C46 H66 N2 O7 |
SMILES | c1(c(cc(cc1CN(Cc1cc(cc(c1O)C)C)CCOCCOCCN(Cc1c(c(cc(c1)C)C)O)Cc1cc(cc(c1O)C)C)C)C)O.O(CC)CC |
Title of publication | Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility |
Authors of publication | Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 7258 |
a | 25.4087 ± 0.0012 Å |
b | 12.1422 ± 0.0005 Å |
c | 15.9143 ± 0.0007 Å |
α | 90° |
β | 113.402 ± 0.002° |
γ | 90° |
Cell volume | 4506 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.1048 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1741 |
Weighted residual factors for all reflections included in the refinement | 0.2044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
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/7214761.html
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