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Information card for entry 1557155
Preview
| Coordinates | 1557155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H154 Cl N9 O9 Ti2 |
|---|---|
| Calculated formula | C112 H148 Cl N7 O9 Ti2 |
| Title of publication | Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters |
| Authors of publication | Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 1619 - 1639 |
| a | 26.5998 ± 0.0004 Å |
| b | 13.18144 ± 0.00015 Å |
| c | 32.7719 ± 0.0004 Å |
| α | 90° |
| β | 104.629 ± 0.0014° |
| γ | 90° |
| Cell volume | 11118.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1595 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257214 (current) | 2020-10-06 | cif/ Updating files of 1557155, 1557156, 1557157, 1557158, 1557159, 1557160, 1557161, 1557162, 1557163, 1557164 Original log message: Adding full bibliography for 1557155--1557164.cif. |
1557155.cif |
| 250149 | 2020-04-05 | cif/ Updating files of 1557155, 1557156, 1557157, 1557158, 1557159, 1557160, 1557161, 1557162, 1557163, 1557164 Original log message: Adding full bibliography for 1557155--1557164.cif. |
1557155.cif |
| 247272 | 2020-01-28 | cif/ Adding structures of 1557155, 1557156, 1557157, 1557158, 1557159, 1557160, 1557161, 1557162, 1557163, 1557164 via cif-deposit CGI script. |
1557155.cif |
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Users of the data should acknowledge the original authors of the
structural data.