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Information card for entry 4026148
Preview
Coordinates | 4026148.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 Br2 O5 |
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Calculated formula | C21 H18 Br2 O5 |
SMILES | Brc1ccc2C(=O)[C@]3([C@@](c2c1)([C@@H](c1c3cc(Br)cc1)OC(=O)C(C)(C)C)O)O.Brc1ccc2C(=O)[C@@]3([C@](c2c1)([C@H](c1c3cc(Br)cc1)OC(=O)C(C)(C)C)O)O |
Title of publication | N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts |
Authors of publication | Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 1844 - 1851 |
a | 21.998 ± 0.002 Å |
b | 7.5957 ± 0.0008 Å |
c | 25.811 ± 0.003 Å |
α | 90° |
β | 112.804 ± 0.003° |
γ | 90° |
Cell volume | 3975.7 ± 0.7 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0566 |
Weighted residual factors for all reflections included in the refinement | 0.0588 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation wavelength | 0.71075 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/4026148.html
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