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Information card for entry 1503236
Preview
Coordinates | 1503236.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H23 Br N2 O3 |
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Calculated formula | C25 H23 Br N2 O3 |
SMILES | Brc1c(/C=C/[C@H]2[C@@H](C(=O)N3[C@H](C2)c2[nH]c4c(c2CC3)cccc4)C(=O)OC)cccc1 |
Title of publication | Diastereoselective syntheses of indoloquinolizidines by a Pictet-Spengler/lactamization cascade. |
Authors of publication | Fang, Huihui; Wu, Xiaoyu; Nie, Linlin; Dai, Xiaoyang; Chen, Jie; Cao, Weiguo; Zhao, Gang |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 23 |
Pages of publication | 5366 - 5369 |
a | 8.2656 ± 0.0011 Å |
b | 8.4095 ± 0.0011 Å |
c | 32.003 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2224.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0721 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.0954 |
Weighted residual factors for all reflections included in the refinement | 0.1013 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1503236.html
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