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Information card for entry 1546095
Preview
| Coordinates | 1546095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H49 N O4 |
|---|---|
| Calculated formula | C42 H49 N O4 |
| Title of publication | Inherently Chiral Upper-Rim-Bridged Calix[4]arenes Possessing a Seven Membered Ring. |
| Authors of publication | Tlustý, Martin; Slavík, Petr; Kohout, Michal; Eigner, Václav; Lhoták, Pavel |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| a | 9.9619 ± 0.0004 Å |
| b | 24.0179 ± 0.001 Å |
| c | 15.5925 ± 0.0006 Å |
| α | 90° |
| β | 101.3 ± 0.0016° |
| γ | 90° |
| Cell volume | 3658.4 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for all reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8561 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196908 (current) | 2017-05-24 | cif/ Adding structures of 1546095 via cif-deposit CGI script. |
1546095.cif |
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