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Information card for entry 1515123
Preview
Coordinates | 1515123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H29 N O4 |
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Calculated formula | C22 H29 N O4 |
SMILES | C1CCCCN1CCC1(C(=O)OC(C)(C)OC1=O)Cc1ccc(cc1)C=C |
Title of publication | Low-temperature ketene formation in materials chemistry through molecular engineering |
Authors of publication | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 3 |
Pages of publication | 766 |
a | 16.399 ± 0.003 Å |
b | 7.8427 ± 0.0014 Å |
c | 16.851 ± 0.003 Å |
α | 90° |
β | 108.538 ± 0.003° |
γ | 90° |
Cell volume | 2054.8 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1239 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
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/1515123.html
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Users of the data should acknowledge the original authors of the
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