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Information card for entry 1502869
Preview
Coordinates | 1502869.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H17 N O3 |
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Calculated formula | C16 H17 N O3 |
SMILES | O1[C@]23N(c4c([C@@]2(C(=C)[C@H]1CC3)C)cccc4)C(=O)OC.O1[C@@]23N(c4c([C@]2(C(=C)[C@@H]1CC3)C)cccc4)C(=O)OC |
Title of publication | Gold(I)-catalyzed tandem cyclization approach to tetracyclic indolines. |
Authors of publication | Liu, Yongxiang; Xu, Wenqing; Wang, Xiang |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 7 |
Pages of publication | 1448 - 1451 |
a | 10.264 ± 0.004 Å |
b | 9.801 ± 0.004 Å |
c | 13.252 ± 0.006 Å |
α | 90° |
β | 97.013 ± 0.006° |
γ | 90° |
Cell volume | 1323.1 ± 1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0741 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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