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Information card for entry 7037137
Preview
Coordinates | 7037137.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 N O |
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Calculated formula | C24 H23 N O |
SMILES | N(=C\1C(=O)c2c3c1cccc3ccc2)\c1c(cccc1C(C)C)C(C)C |
Title of publication | Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian). |
Authors of publication | Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 47 |
Pages of publication | 20532 - 20541 |
a | 15.2395 ± 0.0011 Å |
b | 14.3009 ± 0.0011 Å |
c | 17.4321 ± 0.0012 Å |
α | 90° |
β | 96.931 ± 0.002° |
γ | 90° |
Cell volume | 3771.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1147 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
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/7037137.html
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Users of the data should acknowledge the original authors of the
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