Information card for entry 7204172

Structure parameters

• Chemical name: 2'-deoxy-3',5'-O-bis(tert-butyldiphenylsilyl)-guanosine
• Formula: C42 H49 N5 O4 Si2
• Calculated formula: C42 H49 N5 O4 Si2
• SMILES: [nH]1c(N)nc2c(c1=O)ncn2[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Mesoscopic-scale sheet-like assembly: critical role of inter-tape hydrogen bonds in the organogel formation and gel‒liquid crystal transition of an alkylsilylated deoxyguanosine‒dodecane system
• Authors of publication: Takafumi Sato; Masayuki Seko; Ryoichi Takasawa; Isao Yoshikawa; Koji Araki
• Journal of publication: J. Mater. Chem.
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 3018 - 3022
• a: 9.53 ± 0.0001 Å
• b: 11.075 ± 0.0001 Å
• c: 39.422 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4160.79 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No