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Information card for entry 7234987
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Coordinates | 7234987.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | PJ_B849_55 |
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Formula | C36 H24 N2 O3 |
Calculated formula | C2.66667 H1.77778 N0.148148 O0.222222 |
Title of publication | Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective |
Authors of publication | Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman |
Journal of publication | RSC Advances |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 39 |
Pages of publication | 22384 |
a | 10.233 ± 0.005 Å |
b | 11.256 ± 0.006 Å |
c | 13.314 ± 0.007 Å |
α | 70.799 ± 0.008° |
β | 84.134 ± 0.009° |
γ | 71.007 ± 0.008° |
Cell volume | 1369.4 ± 1.2 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.119 |
Residual factor for significantly intense reflections | 0.0958 |
Weighted residual factors for significantly intense reflections | 0.3124 |
Weighted residual factors for all reflections included in the refinement | 0.326 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/7234987.html
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Users of the data should acknowledge the original authors of the
structural data.