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Information card for entry 1506980
Preview
| Coordinates | 1506980.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 O7 |
|---|---|
| Calculated formula | C20 H28 O7 |
| Title of publication | Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes. |
| Authors of publication | Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 20 |
| Pages of publication | 3569 - 3571 |
| a | 15.563 ± 0.0009 Å |
| b | 20.862 ± 0.0011 Å |
| c | 12.575 ± 0.0004 Å |
| α | 90° |
| β | 99.303 ± 0.003° |
| γ | 90° |
| Cell volume | 4029.1 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections | 0.186 |
| Weighted residual factors for significantly intense reflections | 0.184 |
| Weighted residual factors for all reflections included in the refinement | 0.184 |
| Goodness-of-fit parameter for all reflections | 0.526 |
| Goodness-of-fit parameter for significantly intense reflections | 0.552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.552 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1506980.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506980.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506980.cif |
| 51584 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506977, 1506978, 1506979, 1506980, 1506981, 1506982, 1506983, 1506984, 1506985, 1506986 via cif-deposit CGI script. |
1506980.cif |
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Users of the data should acknowledge the original authors of the
structural data.