Information card for entry 2205968

Structure parameters

• Chemical name: (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3,5-O-bis(4-chlorobenzoyl)-2-deoxy-α-D-erythro-ribofuranoside
• Formula: C29 H34 Cl2 O6
• Calculated formula: C29 H34 Cl2 O6
• SMILES: [C@H]1(C[C@@H]([C@@H](COC(=O)c2ccc(cc2)Cl)O1)OC(=O)c1ccc(cc1)Cl)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: (1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl 3,5-bis-<i>O</i>-(4-chlorobenzoyl)-2-deoxy-α-<small>D</small>-<i>erythro</i>-ribofuranoside
• Authors of publication: Guo-Ming Yang; Zhi-Cai Shang; Yun Wang; Qin-Sen Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1963 - o1964
• a: 6.572 ± 0.0009 Å
• b: 14.3913 ± 0.0002 Å
• c: 30.5468 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2889.1 ± 0.4 ų
• Cell temperature: 295 ± 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 significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No