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Information card for entry 4101968
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| Coordinates | 4101968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 O |
|---|---|
| Calculated formula | C10 H14 O |
| Title of publication | Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy |
| Authors of publication | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 2564 - 2566 |
| a | 19.9525 Å |
| b | 4.5351 Å |
| c | 11.0565 Å |
| α | 90° |
| β | 68.2256° |
| γ | 90° |
| Cell volume | 929.083 Å3 |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209425 (current) | 2018-08-07 | cif/4/10/19/ Removing duplicate loop entries from the _atom_type loop in entries 4101953-4101971. |
4101968.cif |
| 178765 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19. |
4101968.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101968.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101968.cif |
| 24787 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101968 via cif-deposit CGI script. |
4101968.cif |
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Users of the data should acknowledge the original authors of the
structural data.