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Information card for entry 4026144
Preview
Coordinates | 4026144.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 O5 |
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Calculated formula | C21 H20 O5 |
SMILES | O=C1c2ccccc2[C@H](O)[C@@]21O[C@@H](OC(=O)C(C)(C)C)c1c2cccc1.O=C1c2ccccc2[C@@H](O)[C@]21O[C@H](OC(=O)C(C)(C)C)c1c2cccc1 |
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 | 9.43 ± 0.0008 Å |
b | 9.63 ± 0.001 Å |
c | 11.129 ± 0.0012 Å |
α | 90.248 ± 0.008° |
β | 106.933 ± 0.01° |
γ | 112.963 ± 0.012° |
Cell volume | 882.19 ± 0.19 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.076 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.1354 |
Weighted residual factors for all reflections included in the refinement | 0.141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4026144.html
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