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Information card for entry 7031457
Preview
Coordinates | 7031457.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 B N |
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Calculated formula | C18 H22 B N |
SMILES | N1(C(C)(C)C)C(C)c2c(cccc2)B1c1ccccc1 |
Title of publication | From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety. |
Authors of publication | Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 33 |
Pages of publication | 12678 - 12688 |
a | 8.8771 ± 0.0003 Å |
b | 9.27 ± 0.0003 Å |
c | 9.7179 ± 0.0003 Å |
α | 74.766 ± 0.003° |
β | 76.77 ± 0.004° |
γ | 82.477 ± 0.004° |
Cell volume | 748.98 ± 0.04 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.1236 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
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/7031457.html
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Users of the data should acknowledge the original authors of the
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