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Information card for entry 1503399
Preview
Coordinates | 1503399.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 N O5 |
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Calculated formula | C14 H13 N O5 |
SMILES | c1(ccc(cc1)[C@@H](C1=C[C@@](C=CC1=O)(C)O)O)N(=O)=O.c1(ccc(cc1)[C@H](C1=C[C@](C=CC1=O)(C)O)O)N(=O)=O |
Title of publication | Exploring Morita-Baylis-Hillman reactions of p-quinols. |
Authors of publication | Redondo, María C; Ribagorda, María; Carreño, M Carmen |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 568 - 571 |
a | 6.9945 ± 0.0003 Å |
b | 8.7663 ± 0.0006 Å |
c | 10.623 ± 0.0006 Å |
α | 101.662 ± 0.003° |
β | 98.586 ± 0.003° |
γ | 91.319 ± 0.003° |
Cell volume | 629.81 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0588 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 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/1503399.html
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