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Information card for entry 4027850
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4027850.cif |
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Original paper (by DOI) | HTML |
Common name | Alkyidene Furan |
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Chemical name | (Z)-N-(2-(5,5-diphenyldihydrofuran-3(2H)-ylidene)ethyl) -4-methylbenzenesulfonamide |
Formula | C25 H25 N O3 S |
Calculated formula | C25 H25 N O3 S |
SMILES | c1ccc(C2(CC(=C\CNS(=O)(=O)c3ccc(C)cc3)\CO2)c2ccccc2)cc1 |
Title of publication | Electrophile-Induced C-C Bond Activation of Vinylcyclopropanes for the Synthesis of Z-Alkylidenetetrahydrofurans |
Authors of publication | Venkataraman Ganesh; Taraknath Kundu; Srinivasan Chandrasekaran |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 380 - 399 |
a | 12.3722 ± 0.0006 Å |
b | 8.8919 ± 0.0004 Å |
c | 20.1596 ± 0.001 Å |
α | 90° |
β | 92.913 ± 0.003° |
γ | 90° |
Cell volume | 2214.94 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1425 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
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/4027850.html
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