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Information card for entry 7118255
Preview
Coordinates | 7118255.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (1,2-dimethyl-3-methylenecyclopropyl)(6-nitrobenzo[d][1,3]dioxol-5-yl)methanol |
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Formula | C14 H15 N O5 |
Calculated formula | C14 H15 N O5 |
SMILES | c1([C@@H](O)[C@@]2(C(=C)[C@H]2C)C)c(N(=O)=O)cc2c(OCO2)c1.c1([C@H](O)[C@]2(C(=C)[C@@H]2C)C)c(N(=O)=O)cc2c(OCO2)c1 |
Title of publication | Highly diastereoselective approach to methylenecyclopropanes via boron-homologation/allylboration sequences. |
Authors of publication | Baumann, A. N.; Music, A.; Karaghiosoff, K.; Didier, D. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 12 |
Pages of publication | 2529 - 2532 |
a | 9.5866 ± 0.0004 Å |
b | 19.5978 ± 0.0006 Å |
c | 7.6285 ± 0.0003 Å |
α | 90° |
β | 111.316 ± 0.005° |
γ | 90° |
Cell volume | 1335.17 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0633 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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