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Information card for entry 4030590
Preview
Coordinates | 4030590.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H28 N O8 P |
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Calculated formula | C18 H28 N O8 P |
SMILES | C(=O)(c1cc(c(cc1)OC)OC)CC[C@](CC)(N(=O)=O)P(=O)(OCC)OCC |
Title of publication | Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates. |
Authors of publication | Bera, Kalisankar; Namboothiri, Irishi N. N. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 3 |
Pages of publication | 1402 - 1413 |
a | 6.9842 ± 0.0003 Å |
b | 8.328 ± 0.0003 Å |
c | 36.1818 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2104.49 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0709 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1321 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178484 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05. |
4030590.cif |
132945 | 2015-03-04 | cif/ Updating files of 4030590, 4030591 Original log message: Adding full bibliography for 4030590--4030591.cif. |
4030590.cif |
130767 | 2015-02-04 | cif/ Adding structures of 4030590 via cif-deposit CGI script. |
4030590.cif |
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Users of the data should acknowledge the original authors of the
structural data.