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Information card for entry 4029567
Preview
Coordinates | 4029567.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H14 N4 O3 |
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Calculated formula | C11 H14 N4 O3 |
SMILES | O=C(N=N#N)NCCc1cc(OC)c(OC)cc1 |
Title of publication | Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions. |
Authors of publication | García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Journal issue | 7 |
Pages of publication | 2909 - 2911 |
a | 8.4106 ± 0.0004 Å |
b | 9.3443 ± 0.0005 Å |
c | 16.3224 ± 0.0008 Å |
α | 90° |
β | 95.741 ± 0.001° |
γ | 90° |
Cell volume | 1276.36 ± 0.11 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/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.092 |
Residual factor for significantly intense reflections | 0.0663 |
Weighted residual factors for significantly intense reflections | 0.2041 |
Weighted residual factors for all reflections included in the refinement | 0.2356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4029567.html
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structural data.