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CIF Information Card
Information card for 2015331
2015330 << 2015331 >> 2015332Preview
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Coordinates |
2015331.cif |
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Structure factors |
2015331.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | N-(o-Carboxybenzoyl)-L-leucine methyl ester |
| Chemical name | 2-{[(1S)-1-(methoxycarbonyl)-3-methylbutyl]aminocarbonyl}benzoic acid |
| Formula | - C15 H19 N O5 - |
| Calculated formula | - C15 H19 N O5 - |
| Title of publication | <i>N</i>-(<i>o</i>-Carboxybenzoyl)-<i>L</i>-leucine methyl ester |
| Authors of publication | Onofrio, Alvaro B.; Jäger, Eliezer; Brandão, Tiago A. S.; Bortoluzzi, Adailton J.; Nome, Faruk |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o237 - o239 |
| a | 11.735 ± 0.003 Å |
| b | 9.263 ± 0.003 Å |
| c | 15.34 ± 0.002 Å |
| α | 90° |
| β | 106.18 ± 0.03° |
| γ | 90° |
| Cell volume | 1601.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.1545 |
| Residual factor for observed reflections | 0.0603 |
| Weighted residual factors for the observed reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.1923 |
| Goodness-of-fit parameter for observed reflections | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |