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Information card for entry 2018592
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| Coordinates | 2018592.cif |
|---|---|
| Structure factors | 2018592.hkl |
| Original IUCr paper | HTML |
| Chemical name | [5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<i>D</i>- threopentofuranosyl]thymine ethyl acetate 0.25-solvate |
|---|---|
| Formula | C32 H34 N2 O7.5 |
| Calculated formula | C32 H34 N2 O7.5 |
| Title of publication | {5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<small>D</small>-threopentofuranosyl}thymine ethyl acetate 0.25-solvate |
| Authors of publication | Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | o472 - o474 |
| a | 10.542 ± 0.002 Å |
| b | 17.931 ± 0.004 Å |
| c | 17.136 ± 0.003 Å |
| α | 90° |
| β | 107.51 ± 0.03° |
| γ | 90° |
| Cell volume | 3089.1 ± 1.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| 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 | 0.0621 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1457 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180854 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018592.cif 2018592.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018592.cif 2018592.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018592.cif 2018592.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018592.cif 2018592.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018592.cif 2018592.hkl |
| 69620 | 2012-12-21 | cif/ Adding structures of 2018592 via cif-deposit CGI script. |
2018592.cif |
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