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Information card for entry 7154127
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Coordinates | 7154127.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R)-N-(1-t-Butylethyl)-2-chromonecarboxamide |
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Formula | C16 H19 N O3 |
Calculated formula | C16 H19 N O3 |
SMILES | c1(cc(=O)c2ccccc2o1)C(=O)N[C@H](C)C(C)(C)C |
Title of publication | Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold. |
Authors of publication | Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 47 |
Pages of publication | 9644 - 9649 |
a | 5.9167 ± 0.0009 Å |
b | 10.9747 ± 0.0017 Å |
c | 12.2265 ± 0.0018 Å |
α | 64.424 ± 0.0019° |
β | 82.594 ± 0.0019° |
γ | 89.995 ± 0.0019° |
Cell volume | 708.78 ± 0.19 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/7154127.html
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