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Information card for entry 4115540
Preview
| Coordinates | 4115540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H52 O6 |
|---|---|
| Calculated formula | C36 H55 O6 |
| Title of publication | Controlled Expansion of a Molecular Cavity in a Steroid Host Compound |
| Authors of publication | Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 4386 - 4392 |
| a | 14.101 ± 0.002 Å |
| b | 8.036 ± 0.002 Å |
| c | 15.75 ± 0.01 Å |
| α | 90° |
| β | 114.144 ± 0.004° |
| γ | 90° |
| Cell volume | 1628.6 ± 1.1 Å3 |
| Cell temperature | 213.2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.2499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.403 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115540.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115540.cif |
| 69095 | 2012-12-02 | cif/ Adding structures of 4115540 via cif-deposit CGI script. |
4115540.cif |
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Users of the data should acknowledge the original authors of the
structural data.