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Information card for entry 1502597
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1502597.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H23 N O3 |
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Calculated formula | C28 H23 N O3 |
SMILES | O(C(=O)[C@]12NC=C(C(=O)c3ccc(C)cc3)[C@H]1c1ccccc1/C2=C/c1ccccc1)C |
Title of publication | An efficient route to tetrahydroindeno[2,1-b]pyrroles via a base-promoted reaction of (E)-2-alkynylphenylchalcone with 2-isocyanoacetate. |
Authors of publication | Zheng, Danqing; Li, Shaoyu; Luo, Yong; Wu, Jie |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 24 |
Pages of publication | 6402 - 6405 |
a | 8.03 ± 0.004 Å |
b | 9.784 ± 0.005 Å |
c | 27.646 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2172 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0969 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1228 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
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/1502597.html
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Users of the data should acknowledge the original authors of the
structural data.