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Information card for entry 7158539
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Coordinates | 7158539.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,3-Diethyl 2-(tert-butylcarboxyamino)-2-(1-methylindol-3-yl)propanedioate |
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Formula | C21 H28 N2 O6 |
Calculated formula | C21 H28 N2 O6 |
Title of publication | Development of synthetic equivalent of α,α-dicationic acetic acid leading to unnatural amino acid derivatives via tetrafunctionalized methanes |
Authors of publication | Asahara, Haruyasu; Bonkohara, Atsushi; Takagi, Masaya; Iwai, Kento; Ito, Akitaka; Yoshioka, Kotaro; Tani, Shinki; Umezu, Kazuto; Nishiwaki, Nagatoshi |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 10.3357 ± 0.0003 Å |
b | 7.9301 ± 0.0002 Å |
c | 13.6175 ± 0.0004 Å |
α | 90° |
β | 107.526 ± 0.003° |
γ | 90° |
Cell volume | 1064.32 ± 0.05 Å3 |
Cell temperature | 103 ± 1 K |
Ambient diffraction temperature | 103 ± 1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0486 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1163 |
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/7158539.html
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