Information card for entry 7150350

Structure parameters

• Common name: 2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine
• Chemical name: 2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine
• Formula: C59 H71 N5 O6 Si3
• Calculated formula: C59 H66 N5 O6 Si3
• SMILES: c1([nH]c(=O)c2c(n1)n(cn2)[C@H]1[C@@H]([C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N.OC
• Title of publication: Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.
• Authors of publication: Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1125 - 1132
• a: 13.365 ± 0.004 Å
• b: 11.036 ± 0.004 Å
• c: 19.88 ± 0.003 Å
• α: 90°
• β: 94.05 ± 0.02°
• γ: 90°
• Cell volume: 2924.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No