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Information card for entry 4033212
Preview
Coordinates | 4033212.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H29 Cl N2 O3 |
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Calculated formula | C35 H29 Cl N2 O3 |
SMILES | c12ccccc1c1c([C@]3(C(=O)N(Cc4ccccc4)c4c3cc(cc4)Cl)[C@@H](C[C@@H]1c1ccccc1)C(=O)OCC)[nH]2.c12ccccc1c1c([C@@]3(C(=O)N(Cc4ccccc4)c4c3cc(cc4)Cl)[C@H](C[C@H]1c1ccccc1)C(=O)OCC)[nH]2 |
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 | 10.947 ± 0.006 Å |
b | 11.922 ± 0.006 Å |
c | 13.843 ± 0.007 Å |
α | 98.659 ± 0.016° |
β | 110.407 ± 0.016° |
γ | 99.101 ± 0.015° |
Cell volume | 1630.1 ± 1.5 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 | 0.2957 |
Residual factor for significantly intense reflections | 0.1096 |
Weighted residual factors for significantly intense reflections | 0.2835 |
Weighted residual factors for all reflections included in the refinement | 0.3591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4033212.html
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Users of the data should acknowledge the original authors of the
structural data.