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Information card for entry 2018834
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| Coordinates | 2018834.cif |
|---|---|
| Structure factors | 2018834.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl (4-{[<i>tert</i>-butoxycarbonylglycyl-\ α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}butyl)phosphonate propan-2-ol monosolvate 0.122-hydrate |
|---|---|
| Formula | C27 H46.24 N3 O8.12 P |
| Calculated formula | C26.9999 H46.244 N3 O8.122 P |
| Title of publication | Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~ |
| Authors of publication | Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 277 - 281 |
| a | 10.131 ± 0.004 Å |
| b | 12.866 ± 0.005 Å |
| c | 13.368 ± 0.005 Å |
| α | 68.9 ± 0.04° |
| β | 75.94 ± 0.04° |
| γ | 84.11 ± 0.04° |
| Cell volume | 1576.7 ± 1.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (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 2/01/88. |
2018834.cif 2018834.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018834.cif 2018834.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018834.cif 2018834.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018834.cif 2018834.hkl |
| 78855 | 2013-04-02 | cif/ Adding structures of 2018833, 2018834, 2018835 via cif-deposit CGI script. |
2018834.cif |
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Users of the data should acknowledge the original authors of the
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