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Information card for entry 7153906
Preview
Coordinates | 7153906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H33 F2 N3 O4 S2 |
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Calculated formula | C41 H33 F2 N3 O4 S2 |
SMILES | c1(S(=O)(=O)N2CC3(C(=C(c4ccc(F)cc4)\c4ccc(cc4)C#N)/C2)CN(S(=O)(=O)c2ccccc2)CC(=C\c2ccc(F)cc2)/C3)ccccc1 |
Title of publication | One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds. |
Authors of publication | Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 29 |
Pages of publication | 5356 - 5359 |
a | 13.315 ± 0.003 Å |
b | 12.121 ± 0.003 Å |
c | 24.851 ± 0.006 Å |
α | 90° |
β | 100.657 ± 0.003° |
γ | 90° |
Cell volume | 3941.6 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0802 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1498 |
Weighted residual factors for all reflections included in the refinement | 0.1648 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
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/7153906.html
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