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Information card for entry 1557571
Preview
| Coordinates | 1557571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H44 N4 O11 |
|---|---|
| Calculated formula | C44 H44 N4 O11 |
| Title of publication | Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction |
| Authors of publication | Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 3569 - 3573 |
| a | 10.9162 ± 0.0011 Å |
| b | 11.3807 ± 0.0011 Å |
| c | 31.809 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3951.8 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257348 (current) | 2020-10-06 | cif/ Updating files of 1557570, 1557571, 1557572 Original log message: Adding full bibliography for 1557570--1557572.cif. |
1557571.cif |
| 250237 | 2020-04-05 | cif/ Updating files of 1557570, 1557571, 1557572 Original log message: Adding full bibliography for 1557570--1557572.cif. |
1557571.cif |
| 249257 | 2020-03-11 | cif/ Adding structures of 1557570, 1557571, 1557572 via cif-deposit CGI script. |
1557571.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.