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Information card for entry 7216050
Preview
Coordinates | 7216050.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 O11 |
---|---|
Calculated formula | C12 H22 O11 |
SMILES | O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]1[C@H](O[C@@H](O)[C@H](O)[C@H]1O)CO |
Title of publication | Single crystal structure analysis via magnetically oriented microcrystal arrays |
Authors of publication | Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 29 |
Pages of publication | 6630 |
a | 5.0868 ± 0.0003 Å |
b | 13.0628 ± 0.0008 Å |
c | 10.9758 ± 0.0007 Å |
α | 90° |
β | 90.99 ± 0.007° |
γ | 90° |
Cell volume | 729.21 ± 0.08 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.3323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180491 (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 7/21/60. |
7216050.cif |
119421 | 2014-07-07 | cif/ Updating files of 7216049, 7216050, 7216051 Original log message: Adding full bibliography for 7216049--7216051.cif. |
7216050.cif |
114135 | 2014-05-22 | cif/ Adding structures of 7216049, 7216050, 7216051 via cif-deposit CGI script. |
7216050.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.