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Information card for entry 8105767
Preview
Coordinates | 8105767.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 N O5 |
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Calculated formula | C13 H15 N O5 |
Title of publication | Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5 |
Authors of publication | Li, Guo-Qiang; Li, Yun-Yi; Zhao, Yi-Ting; Xu, Qing-Peng; Li, Yao-Lan; Wang, Guo-Cai |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 3 |
Pages of publication | 521 - 522 |
a | 7.9457 ± 0.0007 Å |
b | 8.719 ± 0.0009 Å |
c | 9.9964 ± 0.001 Å |
α | 100.254 ± 0.008° |
β | 100.036 ± 0.008° |
γ | 94.76 ± 0.008° |
Cell volume | 666.39 ± 0.12 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0514 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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