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Information card for entry 1555901
Preview
Coordinates | 1555901.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 |
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Calculated formula | C30 H32 |
SMILES | C1(=C(C(=C[C@@H](C[C@H]1CC)Cc1ccccc1)c1ccccc1)c1ccccc1)CC.C1(=C(C(=C[C@H](C[C@@H]1CC)Cc1ccccc1)c1ccccc1)c1ccccc1)CC |
Title of publication | Formation of Seven-Membered Carbocycles via 7-endo Mode Cyclization of Lithioheptatrienes. |
Authors of publication | Kanno, Ken-Ichiro; Igarashi, Eri; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 24 |
Pages of publication | 6217 - 6219 |
a | 8.9306 ± 0.0005 Å |
b | 9.8068 ± 0.0005 Å |
c | 14.0936 ± 0.0008 Å |
α | 74.745 ± 0.002° |
β | 85.237 ± 0.002° |
γ | 87.353 ± 0.002° |
Cell volume | 1186.34 ± 0.11 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0713 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71075 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/1555901.html
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Users of the data should acknowledge the original authors of the
structural data.