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Information card for entry 1567645
Preview
Coordinates | 1567645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 Br O4 |
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Calculated formula | C21 H29 Br O4 |
Title of publication | Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis |
Authors of publication | Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 35 |
Pages of publication | 10273 - 10280 |
a | 14.0432 ± 0.0005 Å |
b | 7.0309 ± 0.0003 Å |
c | 21.1186 ± 0.0008 Å |
α | 90° |
β | 100.447 ± 0.004° |
γ | 90° |
Cell volume | 2050.61 ± 0.14 Å3 |
Cell temperature | 119.99 ± 0.1 K |
Ambient diffraction temperature | 119.99 ± 0.1 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 | 0.0292 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0677 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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