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Information card for entry 1540554
Preview
Coordinates | 1540554.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H56 B P |
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Calculated formula | C40 H56 B P |
SMILES | [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)[P+](CCCC)(CCCC)CCCC |
Title of publication | Shape-memory effect in an organosuperelastic crystal |
Authors of publication | Takamizawa, Satoshi; Takasaki, Yuichi |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | 1527 |
a | 10.311 ± 0.003 Å |
b | 18.895 ± 0.005 Å |
c | 20.77 ± 0.006 Å |
α | 69.618 ± 0.007° |
β | 85.946 ± 0.007° |
γ | 76.898 ± 0.006° |
Cell volume | 3694.3 ± 1.8 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2319 |
Residual factor for significantly intense reflections | 0.112 |
Weighted residual factors for significantly intense reflections | 0.3496 |
Weighted residual factors for all reflections included in the refinement | 0.4207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
175901 (current) | 2016-02-04 | cif/ Updating files of 1540554, 1540555, 1540556, 1540557 Original log message: Adding full bibliography for 1540554--1540557.cif. |
1540554.cif |
170421 | 2015-11-20 | cif/ Adding structures of 1540554, 1540555, 1540556, 1540557 via cif-deposit CGI script. |
1540554.cif |
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Users of the data should acknowledge the original authors of the
structural data.