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Information card for entry 4038520
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4038520.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H27 Br N2 O2 |
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Calculated formula | C31 H27 Br N2 O2 |
Title of publication | Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines. |
Authors of publication | Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 13 |
Pages of publication | 8544 - 8552 |
a | 15.5188 ± 0.001 Å |
b | 21.4989 ± 0.0013 Å |
c | 7.5658 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2524.2 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1195 |
Residual factor for significantly intense reflections | 0.0583 |
Weighted residual factors for significantly intense reflections | 0.1227 |
Weighted residual factors for all reflections included in the refinement | 0.1477 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038520.html
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