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Information card for entry 7153793
Preview
Coordinates | 7153793.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H16 Cl N5 O2 |
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Calculated formula | C22 H16 Cl N5 O2 |
SMILES | Clc1ccc2[C@@]3(C(C(=C(C4=CCCC[C@H]34)C#N)N)(C#N)C#N)C(=O)N(c2c1)C(=O)C |
Title of publication | Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes. |
Authors of publication | Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 25 |
Pages of publication | 4372 - 4385 |
a | 21.6553 ± 0.0009 Å |
b | 21.6553 ± 0.0009 Å |
c | 9.8316 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3992.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.0659 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1345 |
Weighted residual factors for all reflections included in the refinement | 0.1417 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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