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Information card for entry 7216558
Preview
| Coordinates | 7216558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H32 O4 |
|---|---|
| Calculated formula | C21 H34 O4 |
| Title of publication | Co-crystalline hydrogen bonded solids formed by helical tubuland diols |
| Authors of publication | Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 98 |
| Pages of publication | 591 |
| a | 10.87 ± 0.004 Å |
| b | 16.939 ± 0.003 Å |
| c | 10.934 ± 0.004 Å |
| α | 90° |
| β | 93.99 ± 0.02° |
| γ | 90° |
| Cell volume | 2008.4 ± 1.1 Å3 |
| Cell temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.86 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180496 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65. |
7216558.cif |
| 116852 | 2014-06-14 | cif/ Adding structures of 7216557, 7216558, 7216559 via cif-deposit CGI script. |
7216558.cif |
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Users of the data should acknowledge the original authors of the
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