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Information card for entry 7705098
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Coordinates | 7705098.cif |
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Original paper (by DOI) | HTML |
Formula | C145 H177.5 F6 N6.5 O12 Ti4 |
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Calculated formula | C142 H173 F6 N5 O12 Ti4 |
Title of publication | INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters. |
Authors of publication | Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 34 |
Pages of publication | 11978 - 11996 |
a | 24.7656 ± 0.0007 Å |
b | 22.6045 ± 0.0005 Å |
c | 24.6564 ± 0.0006 Å |
α | 90° |
β | 90.923 ± 0.002° |
γ | 90° |
Cell volume | 13801.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1448 |
Residual factor for significantly intense reflections | 0.083 |
Weighted residual factors for significantly intense reflections | 0.2023 |
Weighted residual factors for all reflections included in the refinement | 0.2446 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7705098.html
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