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Information card for entry 7152125
Preview
Coordinates | 7152125.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H7 F O3 |
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Calculated formula | C6 H7 F O3 |
SMILES | F[C@@H]1O[C@H]2[C@@H]3O[C@@H]3[C@@H]1OC2 |
Title of publication | Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride. |
Authors of publication | Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 2 |
Pages of publication | 394 - 403 |
a | 5.7591 ± 0.0003 Å |
b | 6.2197 ± 0.0003 Å |
c | 16.2984 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 583.81 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for all reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0308 |
Weighted residual factors for all reflections included in the refinement | 0.0308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1361 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7152125.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152125.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152125.cif |
33526 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7152114, 7152115, 7152116, 7152117, 7152118, 7152119, 7152120, 7152121, 7152122, 7152123, 7152124, 7152125, 7152126, 7152127, 7152128, 7152129, 7152130, 7152131, 7152132 via cif-deposit CGI script. |
7152125.cif |
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Users of the data should acknowledge the original authors of the
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