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Information card for entry 4502720
Preview
Coordinates | 4502720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H29 N O6 |
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Calculated formula | C25 H29 N O6 |
SMILES | c1(C#Cc2cc(cc(OC)c2)OC)c(c(nc(c1C(=O)OC(C)C)C)C)C(=O)OC(C)C |
Title of publication | Comparing molecular gelators and nongelators based on solubilities and solid-state interactions. |
Authors of publication | Chen, Jing; Kampf, Jeff W.; McNeil, Anne J. |
Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
Year of publication | 2010 |
Journal volume | 26 |
Journal issue | 16 |
Pages of publication | 13076 - 13080 |
a | 14.7391 ± 0.0008 Å |
b | 20.7305 ± 0.0011 Å |
c | 7.452 ± 0.0004 Å |
α | 90° |
β | 91.136 ± 0.001° |
γ | 90° |
Cell volume | 2276.5 ± 0.2 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 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 | 0.0415 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4502720.html
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Users of the data should acknowledge the original authors of the
structural data.