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Information card for entry 2241421
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| Coordinates | 2241421.cif |
|---|---|
| Structure factors | 2241421.hkl |
| Original IUCr paper | HTML |
| Chemical name | (±)-(1a<i>R</i>,1b<i>S</i>,4a<i>R</i>,5<i>S</i>,5a<i>R</i>)-5-Benzyloxy-5-methyl-5a-phenylhexahydro-2<i>H</i>-oxireno[2',3':3,4]cyclopenta[1,2-<i>c</i>]furan |
|---|---|
| Formula | C21 H22 O3 |
| Calculated formula | C21 H22 O3 |
| Title of publication | Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study |
| Authors of publication | Jones, Alan M.; Storey, John M. D.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 44 - 48 |
| a | 5.6392 ± 0.0002 Å |
| b | 11.0427 ± 0.0005 Å |
| c | 26.6311 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1658.37 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1399 |
| Residual factor for significantly intense reflections | 0.1232 |
| Weighted residual factors for significantly intense reflections | 0.2713 |
| Weighted residual factors for all reflections included in the refinement | 0.2793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241421.cif 2241421.hkl |
| 176630 | 2016-02-17 | cif/ Updating files of 2241419, 2241420, 2241421 Original log message: Adding full bibliography for 2241419--2241421.cif. |
2241421.cif 2241421.hkl |
| 176578 | 2016-02-17 | cif/ Updating files of 2241419, 2241420, 2241421 Original log message: Adding full bibliography for 2241419--2241421.cif. |
2241421.cif 2241421.hkl |
| 171636 | 2015-12-20 | cif/ hkl/ Adding structures of 2241419, 2241420, 2241421 via cif-deposit CGI script. |
2241421.cif 2241421.hkl |
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