Information card for entry 8101884

Structure parameters

• Chemical name: 3S,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)-7-(tert- butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan-4-ol
• Formula: C22 H49 N O5 Si2
• Calculated formula: C22 H49 N O5 Si2
• SMILES: [Si](O[C@H]1[C@H](N)[C@@H](O)[C@@H](C(O[C@@H]1CO[Si](C)(C)C(C)(C)C)(C)C)CO)(C)(C)C(C)(C)C
• Title of publication: Crystal structure of 3R,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)- 7-(tert-butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan- 4-ol, C~22~H~49~NO~5~Si~2~
• Authors of publication: Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 131 - 132
• a: 10.5288 ± 0.0018 Å
• b: 8.1518 ± 0.0014 Å
• c: 16.554 ± 0.003 Å
• α: 90°
• β: 98.015 ± 0.004°
• γ: 90°
• Cell volume: 1406.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No