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Information card for entry 4514800
Preview
Coordinates | 4514800.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 N2 O |
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Calculated formula | C26 H24 N2 O |
SMILES | C1(C)(C)c2c(c3c(cccc3)[nH]2)[C@@H](/C=C/c2ccccc2)N(c2ccccc2)O1 |
Title of publication | Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring |
Authors of publication | Sahani, Rajkumar Lalji; Liu, Rai-Shung |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 5890 |
a | 8.7098 ± 0.0006 Å |
b | 8.9173 ± 0.0005 Å |
c | 13.0467 ± 0.0009 Å |
α | 90° |
β | 93.444 ± 0.002° |
γ | 90° |
Cell volume | 1011.48 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0774 |
Weighted residual factors for significantly intense reflections | 0.2062 |
Weighted residual factors for all reflections included in the refinement | 0.2117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4514800.html
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