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Information card for entry 4029906
Preview
Coordinates | 4029906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 O3 |
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Calculated formula | C18 H16 O3 |
SMILES | O1C(c2c(C\1=C\c1ccccc1)cc1OCOc1c2)(C)C |
Title of publication | [Cu]-Catalyzed Domino Sonogashira Coupling Followed by Intramolecular 5-exo-dig Cyclization: Synthesis of 1,3-Dihydro-2-benzofurans. |
Authors of publication | Mahendar, Lodi; Gopi Krishna Reddy, Alavala; Krishna, Jonnada; Satyanarayana, Gedu |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 18 |
Pages of publication | 8566 - 8576 |
a | 9.3617 ± 0.0005 Å |
b | 10.2507 ± 0.0006 Å |
c | 15.3883 ± 0.0008 Å |
α | 93.759 ± 0.005° |
β | 95.647 ± 0.005° |
γ | 102.436 ± 0.005° |
Cell volume | 1429.35 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54184 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/4029906.html
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