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Information card for entry 4031355
Preview
Coordinates | 4031355.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 O |
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Calculated formula | C14 H16 O |
SMILES | O1[C@@H]2[C@H]1CCCC[C@H]1c3ccccc3[C@@H]21.O1[C@H]2[C@@H]1CCCC[C@@H]1c3ccccc3[C@H]21 |
Title of publication | Accelerating a Mechanically Driven anti-Woodward-Hoffmann Ring Opening with a Polymer Lever Arm Effect. |
Authors of publication | Wang, Junpeng; Kouznetsova, Tatiana B.; Niu, Zhenbin; Rheingold, Arnold L.; Craig, Stephen L. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 23 |
Pages of publication | 11895 - 11898 |
a | 8.7839 ± 0.0005 Å |
b | 9.3731 ± 0.0006 Å |
c | 13.6419 ± 0.001 Å |
α | 90° |
β | 107.534 ± 0.002° |
γ | 90° |
Cell volume | 1070.99 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0927 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1643 |
Weighted residual factors for all reflections included in the refinement | 0.1828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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