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Information card for entry 8102173
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| Coordinates | 8102173.cif |
|---|
| Chemical name | (2S,3S,4R,5R)-3-(tert-butoxycarbonylamino-1,2-O-isopropylidene-4-O-methoxy- methyl-5-methylhexane-1,2,4,6-tetrol |
|---|---|
| Formula | C17 H33 N O7 |
| Calculated formula | C17 H33 N O7 |
| Title of publication | Crystal structure of (2S,3S,4R,5R)-3-(tert-butoxycarbonylamino-1,2- O-isopropylidene-4-O-methoxymethyl-5-methylhexane-1,2,4,6-tetrol, C~17~H~33~NO~7~ |
| Authors of publication | Frey, Wolfgang; Li, Feng; Jäger, Volker |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 353 - 354 |
| a | 9.5027 ± 0.0013 Å |
| b | 10.2463 ± 0.0012 Å |
| c | 21.1 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2054.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1375 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.1831 |
| Weighted residual factors for all reflections included in the refinement | 0.241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102173.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102173.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102173.cif |
| 12912 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102173 via cif-deposit CGI script. |
8102173.cif |
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