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Information card for entry 4112347
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Coordinates | 4112347.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | azobenzene |
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Chemical name | (E)-1,2-diphenyldiazene |
Formula | C12 H10 N2 |
Calculated formula | C12 H10 N2 |
Title of publication | X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals |
Authors of publication | Jun Harada; Keiichiro Ogawa |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 3539 - 3544 |
a | 12.0949 ± 0.0006 Å |
b | 5.7366 ± 0.0003 Å |
c | 15.0923 ± 0.0008 Å |
α | 90° |
β | 112.456 ± 0.001° |
γ | 90° |
Cell volume | 967.76 ± 0.09 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
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 | 0.0423 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1077 |
Weighted residual factors for all reflections included in the refinement | 0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112347.html
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