Information card for entry 7204171

Structure parameters

• Chemical name: 2'-deoxy-3',5'-O-bis(triisopropylsilyl)-guanosine
• Formula: C28 H53 N5 O4 Si2
• Calculated formula: C28 H53 N5 O4 Si2
• SMILES: [nH]1c(N)nc2c(c1=O)ncn2[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O1)CO[Si](C(C)C)(C(C)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: 17.014 ± 0.0004 Å
• b: 11.214 ± 0.0003 Å
• c: 18.405 ± 0.0004 Å
• α: 90°
• β: 112.716 ± 0.002°
• γ: 90°
• Cell volume: 3239.19 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0552
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No