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Information card for entry 4025408
Preview
Coordinates | 4025408.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C6 H8 F N O2 |
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Calculated formula | C6 H8 F N O2 |
SMILES | F[C@@H]1[C@@H]2N[C@@H]2[C@H]2O[C@@H]1CO2 |
Title of publication | Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses |
Authors of publication | Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 3443 - 3446 |
a | 6.5963 ± 0.0002 Å |
b | 6.5963 ± 0.0002 Å |
c | 13.975 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 608.07 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for all reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0257 |
Weighted residual factors for all reflections included in the refinement | 0.0257 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9295 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4025408.cif |
176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4025408.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025408.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025408.cif |
17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4025408.cif |
11198 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025408 via cif-deposit CGI script. |
4025408.cif |
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