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Information card for entry 7209250
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Coordinates | 7209250.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | XST-FG-3 |
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Formula | C25 H20 N2 O2 |
Calculated formula | C25 H20 N2 O2 |
SMILES | O=N(=O)CC1c2c3ccccc3[nH]c2C(=Cc2c1cccc2)c1ccc(C)cc1 |
Title of publication | Gold-catalyzed Michael addition/intramolecular annulation cascade: an effective pathway for the chemoselective- and regioselective synthesis of tetracyclic indole derivatives in water |
Authors of publication | Xu, Shengtao; Zhou, Yu; Xu, Jinyi; Jiang, Hualiang; Liu, Hong |
Journal of publication | Green Chemistry |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 3 |
Pages of publication | 718 |
a | 20.8671 ± 0.0008 Å |
b | 10.4343 ± 0.0004 Å |
c | 18.53 ± 0.0007 Å |
α | 90° |
β | 101.947 ± 0.002° |
γ | 90° |
Cell volume | 3947.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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