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Information card for entry 2233209
Preview
| Coordinates | 2233209.cif |
|---|---|
| Structure factors | 2233209.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(butan-2-yl)-7,20-bis(1-hydroxyethyl)-10,23-bis(propan-2-yl)-12,25-dithia- 3,6,9,16,19,22,27,28-octaazatricyclo[22.2.1.1^11,14^]octacosa- 1(26),11(28),13,24(27)-tetraene-2,5,8,15,18,21-hexone acetonitrile monosolvate |
|---|---|
| Formula | C34 H51 N9 O8 S2 |
| Calculated formula | C34 H51 N9 O8 S2 |
| Title of publication | The desoxazoline asidiacyclamide analogue <i>cyclo</i>(Gly‒Thr‒D-Val‒Thz‒Ile‒Thr‒D-Val‒Thz) acetonitrile monosolvate |
| Authors of publication | Asano, Akiko; Doi, Mitsunobu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o54 - o55 |
| a | 18.2019 ± 0.0009 Å |
| b | 10.4667 ± 0.0005 Å |
| c | 11.0695 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2108.89 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.2101 |
| Weighted residual factors for all reflections included in the refinement | 0.213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233209.cif 2233209.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233209.cif 2233209.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233209.cif 2233209.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. | 2233209.cif 2233209.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233209.cif 2233209.hkl |
| 32268 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233209 via cif-deposit CGI script. |
2233209.cif |
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Users of the data should acknowledge the original authors of the
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