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Information card for entry 1503929
Preview
| Coordinates | 1503929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | all-anti-Heptatetrahydrofuran |
|---|---|
| Chemical name | all-anti-2,3,4-5-Hexakis(tetrahydrofuro)furan |
| Formula | C16 H16 O7 |
| Calculated formula | C16 H16 O7 |
| SMILES | C1=C[C@@H]2[C@H](O1)O[C@@H]1[C@H]2[C@@H]2[C@H](O1)O[C@@H]1[C@H]2[C@H]2[C@@H]3C=CO[C@@H]3O[C@H]2O1.C1=C[C@H]2[C@@H](O1)O[C@H]1[C@@H]2[C@H]2[C@@H](O1)O[C@H]1[C@@H]2[C@@H]2[C@H]3C=CO[C@H]3O[C@@H]2O1 |
| Title of publication | anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes. |
| Authors of publication | Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2317 - 2320 |
| a | 42.329 ± 0.008 Å |
| b | 5.8139 ± 0.0013 Å |
| c | 11.242 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2766.6 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503929.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503929.cif |
| 39198 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503927, 1503928, 1503929 via cif-deposit CGI script. |
1503929.cif |
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