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Information card for entry 1546474
Preview
Coordinates | 1546474.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 N O3 |
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Calculated formula | C27 H23 N O3 |
SMILES | O=C1n2c3ccccc3cc2[C@@]2(O)[C@@H]1[C@@H]([C@H](C2)c1ccccc1)c1cc(OC)ccc1 |
Title of publication | Asymmetric Synthesis of Cyclopenta[3,4]pyrroloindolones via N-Heterocyclic Carbene-Catalyzed Michael/Aldol/Lactamization Cascade Reaction. |
Authors of publication | Yang, Yu-Jie; Ji, Yuanyuan; Qi, Liangliang; Wang, Guanjun; Hui, Xin-Ping |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 12 |
Pages of publication | 3271 - 3274 |
a | 6.24343 ± 0.00013 Å |
b | 16.3321 ± 0.0003 Å |
c | 20.2668 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2066.57 ± 0.07 Å3 |
Cell temperature | 293.42 ± 0.1 K |
Ambient diffraction temperature | 293.42 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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