Information card for entry 7104079

Structure parameters

• Common name: 1R-(1,2,3,4/5)-1,5-di-O-benzoyl-4-O-tert-Butyldimethylsilyl- 2,3-O-isopropylidene-cyclopentane-1,2,3,4,5-pentol
• Chemical name: 1R-(1,2,3,4/5)-1,5-di-O-benzoyl-4-O-tert- Butyldimethylsilyl-2,3-O- isopropylidene-cyclopentane-1,2,3,4,5-pentol
• Formula: C28 H36 O7 Si
• Calculated formula: C28 H36 O7 Si
• SMILES: [Si](O[C@H]1[C@H]2OC(O[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C)C)(C(C)(C)C)(C)C
• Title of publication: Cyclopentanes from N-amino-glyconolactams. A synthesis of mannostatin A
• Authors of publication: Hu, Guixian; Zimmermann, Martin; Ramana, Chepuri Venkata; Vasella, Andrea
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 952 - 953
• a: 6.378 ± 0.001 Å
• b: 19.449 ± 0.005 Å
• c: 11.752 ± 0.003 Å
• α: 90°
• β: 103 ± 0.02°
• γ: 90°
• Cell volume: 1420.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No