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Information card for entry 7112856
Preview
Coordinates | 7112856.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H33 B Li N2 P |
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Calculated formula | C19 H33 B Li N2 P |
SMILES | p1(c(c(c(c1C)C)C)C)[B]12=[CH]3[CH]4=[CH]5[CH]6=[CH]1[Li]123456[N](C)(C)CC[N]1(C)C |
Title of publication | Synthesis of a 1-boratabenzene-(2,3,4,5-tetramethylphosphole): towards a planar monophosphole. |
Authors of publication | Bélanger-Chabot, Guillaume; Rioux, Philippe; Maron, Laurent; Fontaine, Frédéric-Georges |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 36 |
Pages of publication | 6816 - 6818 |
a | 8.7343 ± 0.0005 Å |
b | 18.1187 ± 0.0009 Å |
c | 13.3941 ± 0.0007 Å |
α | 90° |
β | 95.63 ± 0.003° |
γ | 90° |
Cell volume | 2109.45 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0958 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1502 |
Weighted residual factors for all reflections included in the refinement | 0.1671 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180242 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28. |
7112856.cif |
112125 | 2014-04-29 | cif/ Adding structures of 7112855, 7112856, 7112857, 7112858 via cif-deposit CGI script. |
7112856.cif |
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Users of the data should acknowledge the original authors of the
structural data.