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Information card for entry 7127330
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7127330.cif |
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Original paper (by DOI) | HTML |
Chemical name | Methyl 4''-(tert-butyl)-6'-(methylthio)-[1,1':3',1''-terphenyl]-4'-carboxylate |
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Formula | C25 H26 O2 S |
Calculated formula | C25 H26 O2 S |
Title of publication | Regioselective benzannulation of allylic sulfur ylides with ynones: a rapid access to substituted thioanisoles. |
Authors of publication | Parameshwar, Matam; Singam, Maneesh Kumar Reddy; Nagireddy, Attunuri; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 87 |
Pages of publication | 13457 - 13460 |
a | 10.361 ± 0.005 Å |
b | 22.362 ± 0.01 Å |
c | 10.254 ± 0.004 Å |
α | 90° |
β | 113.65 ± 0.008° |
γ | 90° |
Cell volume | 2176.2 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0649 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1221 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7127330.html
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