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Information card for entry 4033211
Preview
Coordinates | 4033211.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 Cl N2 O3 |
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Calculated formula | C33 H33 Cl N2 O3 |
SMILES | CCCCN1C(=O)[C@]2(c3cc(ccc13)Cl)[C@H](C(=O)OCC)C[C@H](c1ccc(C)cc1)c1c2[nH]c2c1cccc2.CCCCN1C(=O)[C@@]2(c3cc(ccc13)Cl)[C@@H](C(=O)OCC)C[C@@H](c1ccc(C)cc1)c1c2[nH]c2c1cccc2 |
Title of publication | TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s. |
Authors of publication | Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 24 |
Pages of publication | 13277 - 13287 |
a | 10.145 ± 0.005 Å |
b | 12.381 ± 0.006 Å |
c | 13.498 ± 0.007 Å |
α | 75.693 ± 0.014° |
β | 83.221 ± 0.016° |
γ | 85.987 ± 0.016° |
Cell volume | 1629.9 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2276 |
Residual factor for significantly intense reflections | 0.1388 |
Weighted residual factors for significantly intense reflections | 0.3446 |
Weighted residual factors for all reflections included in the refinement | 0.3919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4033211.html
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Users of the data should acknowledge the original authors of the
structural data.