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Information card for entry 7157860
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Coordinates | 7157860.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound-3f |
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Chemical name | 2-Chloro-8-methoxy-6'-(trifluoromethyl)-6H-spiro[dibenzo[b,e]oxepine-11,3'-indolin]-2'-one |
Formula | C23 H15 Cl F3 N O3 |
Calculated formula | C23 H15 Cl F3 N O3 |
Title of publication | Solvent-specific, DAST-mediated intramolecular Friedel-Crafts reaction: access to dibenzoxepine-fused spirooxindoles. |
Authors of publication | Samikannu, Ramesh; Sethuraman, Sankaranarayanan; Akula, Nagaraja; Radhakrishnan, Vignesh; Kamisetti, Srinivasarao; Banu, Shabana; Vetrichelvan, Muthalagu; Gupta, Anuradha; Li, Jianqing; Rampulla, Richard; Mathur, Arvind |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 8 |
Pages of publication | 1760 - 1768 |
a | 7.84 ± 0.0004 Å |
b | 11.8374 ± 0.0006 Å |
c | 11.9176 ± 0.0006 Å |
α | 111.955 ± 0.002° |
β | 97.653 ± 0.002° |
γ | 98.734 ± 0.002° |
Cell volume | 991.91 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7157860.html
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Users of the data should acknowledge the original authors of the
structural data.