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Information card for entry 7150656
Preview
| Coordinates | 7150656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- (7.2.1.027)dodec-4-ene |
|---|---|
| Chemical name | (1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- [7.2.1.027]dodec-4-ene |
| Formula | C11 H16 O3 |
| Calculated formula | C11 H16 O3 |
| SMILES | [C@@H]12[C@H]3CC=CC[C@H]3[C@@H](CO)[C@@H](O1)OC2 |
| Title of publication | Cycloaddition and one-carbon homologation studies in the synthesis of advanced iridoid precursors |
| Authors of publication | Stevens, Anne T.; Caira, Mino R.; Bull, James R.; Chibale, Kelly |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 17 |
| Pages of publication | 3527 - 3536 |
| a | 7.475 ± 0.001 Å |
| b | 8.234 ± 0.001 Å |
| c | 16.061 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 988.5 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150656.cif |
| 180292 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06. |
7150656.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150656.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150656.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' ) & |
7150656.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150656.cif |
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Users of the data should acknowledge the original authors of the
structural data.