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Information card for entry 7031458
Preview
Coordinates | 7031458.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H31 B N2 |
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Calculated formula | C29 H31 B N2 |
SMILES | c1(c(N2C(c3ccccc3)c3n(B2c2ccccc2)ccc3)c(ccc1)C(C)C)C(C)C |
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 | 16.5759 ± 0.0008 Å |
b | 10.0011 ± 0.0011 Å |
c | 14.427 ± 0.0007 Å |
α | 90° |
β | 91.314 ± 0.004° |
γ | 90° |
Cell volume | 2391 ± 0.3 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.0738 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
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/7031458.html
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