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Information card for entry 4029101
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Coordinates | 4029101.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 055-fl |
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Formula | C25 H19 N3 O2 |
Calculated formula | C25 H19 N3 O2 |
SMILES | O=N(=O)c1ccc(C(=C(C#N)C#N)C(C2C=CC=CC=C2)C2C=CC=CC=C2)cc1 |
Title of publication | Syntheses of donor-acceptor-functionalized dihydroazulenes. |
Authors of publication | Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 1 |
Pages of publication | 41 - 64 |
a | 17.7097 ± 0.0009 Å |
b | 8.559 ± 0.0004 Å |
c | 13.1023 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1986.01 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.027 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0664 |
Weighted residual factors for all reflections included in the refinement | 0.0673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/4029101.html
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Users of the data should acknowledge the original authors of the
structural data.