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Information card for entry 4035586
Preview
Coordinates | 4035586.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H7 N3 O |
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Calculated formula | C10 H7 N3 O |
SMILES | O=C(C=N#N)[C@@H]1N=C1c1ccccc1 |
Title of publication | 2-Diazoacetyl-2 H-azirines: Source of a Variety of 2 H-Azirine Building Blocks with Orthogonal and Domino Reactivity. |
Authors of publication | Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 15 |
Pages of publication | 8304 - 8314 |
a | 5.0522 ± 0.0003 Å |
b | 8.4389 ± 0.0005 Å |
c | 21.7226 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 926.14 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/4035586.html
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Users of the data should acknowledge the original authors of the
structural data.