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Information card for entry 4036040
Preview
Coordinates | 4036040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H21 N O4 |
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Calculated formula | C13 H21 N O4 |
Title of publication | 3-((Hetera)cyclobutyl)azetidines, "Stretched" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery. |
Authors of publication | Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 3 |
Pages of publication | 1363 - 1371 |
a | 6.3322 ± 0.0004 Å |
b | 16.0598 ± 0.0008 Å |
c | 13.7532 ± 0.0007 Å |
α | 90° |
β | 98.378 ± 0.004° |
γ | 90° |
Cell volume | 1383.69 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1068 |
Residual factor for significantly intense reflections | 0.075 |
Weighted residual factors for significantly intense reflections | 0.1332 |
Weighted residual factors for all reflections included in the refinement | 0.1443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036040.html
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Users of the data should acknowledge the original authors of the
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