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Information card for entry 1505248
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1505248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H22 |
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Calculated formula | C25 H22 |
SMILES | c1cccc2c1C(=CC2C(=C(C)C)c1ccccc1)c1ccccc1 |
Title of publication | Lewis acid catalyzed rearrangement of vinylcyclopropenes for the construction of naphthalene and indene skeletons. |
Authors of publication | Shao, Li-Xiong; Zhang, Yun-Peng; Qi, Ming-Hui; Shi, Min |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 117 - 120 |
a | 8.1168 ± 0.0019 Å |
b | 10.068 ± 0.002 Å |
c | 11.493 ± 0.003 Å |
α | 93.001 ± 0.004° |
β | 98.563 ± 0.004° |
γ | 98.08 ± 0.004° |
Cell volume | 916.9 ± 0.4 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0933 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1722 |
Weighted residual factors for all reflections included in the refinement | 0.1867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505248.html
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Users of the data should acknowledge the original authors of the
structural data.