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Information card for entry 2230142
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| Coordinates | 2230142.cif |
|---|---|
| Structure factors | 2230142.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Quinolin-2-yl-phenolic borodifluoridate |
|---|---|
| Chemical name | Difluoro[2-(quinolin-2-yl)phenolato]borane |
| Formula | C15 H10 B F2 N O |
| Calculated formula | C15 H10 B F2 N O |
| SMILES | F[B]1(F)Oc2c(c3[n]1c1ccccc1cc3)cccc2 |
| Title of publication | Difluoro[2-(quinolin-2-yl)phenolato]borane |
| Authors of publication | Yang, Xi; Xia, Min |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1049 |
| a | 7.466 ± 0.0015 Å |
| b | 8.63 ± 0.0017 Å |
| c | 9.342 ± 0.0019 Å |
| α | 97.71 ± 0.03° |
| β | 95.63 ± 0.03° |
| γ | 92.61 ± 0.03° |
| Cell volume | 592.5 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/01. |
2230142.cif 2230142.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230142.cif 2230142.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230142.cif 2230142.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230142.cif 2230142.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230142.cif 2230142.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230142.cif 2230142.hkl |
| 20215 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230142 via cif-deposit CGI script. |
2230142.cif |
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Users of the data should acknowledge the original authors of the
structural data.