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Information card for entry 4081804
Preview
Coordinates | 4081804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H36 B P |
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Calculated formula | C26 H36 B P |
SMILES | [P]1([B]2(CC(=C(C1)C)C)c1c(cccc1)c1c2cccc1)(C(C)(C)C)C(C)(C)C |
Title of publication | Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene |
Authors of publication | Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 22 |
Pages of publication | 6792 |
a | 8.9317 ± 0.0004 Å |
b | 15.5573 ± 0.0009 Å |
c | 16.4919 ± 0.0006 Å |
α | 90° |
β | 92.255 ± 0.003° |
γ | 90° |
Cell volume | 2289.83 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0525 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/4081804.html
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Users of the data should acknowledge the original authors of the
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