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Information card for entry 2312532
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| Coordinates | 2312532.cif |
|---|---|
| Structure factors | 2312532.hkl |
| Original IUCr paper | HTML |
| Common name | Methyl β-chitobioside methanol monosolvate |
|---|---|
| Chemical name | Methyl 2-acetamido-2-deoxy-β-<i>D</i>-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-<i>D</i>-glucopyranoside methanol monosolvate |
| Formula | C18 H34 N2 O12 |
| Calculated formula | C18 H34 N2 O12 |
| Title of publication | Conformational disorder in the crystal structure of methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside (methyl β-chitobioside) methanol monosolvate. |
| Authors of publication | Shit, Pradip; Tetrault, Timothy; Zhang, Wenhui; Yoon, Mi Kyung; Oliver, Allen G.; Serianni, Anthony S. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 7 |
| Pages of publication | 331 - 336 |
| a | 4.7599 ± 0.0001 Å |
| b | 14.3223 ± 0.0005 Å |
| c | 16.6515 ± 0.0005 Å |
| α | 90° |
| β | 90.022 ± 0.002° |
| γ | 90° |
| Cell volume | 1135.18 ± 0.06 Å3 |
| Cell temperature | 260 ± 2 K |
| Ambient diffraction temperature | 260 ± 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 | 0.0316 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293986 (current) | 2024-08-07 | cif/ Updating files of 2312532 Original log message: Adding full bibliography for 2312532.cif. |
2312532.cif 2312532.hkl |
| 292655 | 2024-06-29 | cif/ hkl/ Adding structures of 2312532 via cif-deposit CGI script. |
2312532.cif 2312532.hkl |
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Users of the data should acknowledge the original authors of the
structural data.