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Information card for entry 4518545
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4518545.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 Br2 N2 O6 S2 |
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Calculated formula | C40 H40 Br2 N2 O6 S2 |
Title of publication | Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles |
Authors of publication | Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 6 |
Pages of publication | 3679 - 3686 |
a | 8.3815 ± 0.0002 Å |
b | 16.1769 ± 0.0003 Å |
c | 28.5494 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3870.92 ± 0.14 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.138 |
Weighted residual factors for all reflections included in the refinement | 0.1704 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation probe | x-ray |
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/4518545.html
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structural data.