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Information card for entry 1550205
Preview
Coordinates | 1550205.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H38 N4 O2 |
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Calculated formula | C22 H38 N4 O2 |
SMILES | O=C(NC(c1cc(ccc1)C(NC(=O)NCCCC)(C)C)(C)C)NCCCC |
Title of publication | Investigating the effect of supramolecular gel phase crystallization on gel nucleation. |
Authors of publication | Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita |
Journal of publication | Soft matter |
Year of publication | 2018 |
Journal volume | 14 |
Journal issue | 46 |
Pages of publication | 9489 - 9497 |
a | 8.9115 ± 0.0002 Å |
b | 16.2345 ± 0.0003 Å |
c | 32.4328 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4692.17 ± 0.17 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0934 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1549 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
230976 (current) | 2019-11-17 | cif/ Updating files of 1550205 Original log message: Adding full bibliography for 1550205.cif. |
1550205.cif |
211867 | 2018-11-09 | cif/ Adding structures of 1550205 via cif-deposit CGI script. |
1550205.cif |
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