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Information card for entry 4515976
Preview
Coordinates | 4515976.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H23 N O4 |
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Calculated formula | C32 H23 N O4 |
SMILES | C1(=O)c2ccccc2C(=O)C21C(c1ccc(cc1)N(=O)=O)CC(=C(C2)c1ccccc1)c1ccccc1 |
Title of publication | HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br. |
Authors of publication | Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo |
Journal of publication | ACS omega |
Year of publication | 2018 |
Journal volume | 3 |
Journal issue | 5 |
Pages of publication | 5406 - 5416 |
a | 10.1699 ± 0.0012 Å |
b | 11.6903 ± 0.0014 Å |
c | 12.6092 ± 0.0014 Å |
α | 96.819 ± 0.004° |
β | 108.525 ± 0.003° |
γ | 113.464 ± 0.003° |
Cell volume | 1251 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.1023 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1287 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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