Information card for entry 7150357

Structure parameters

• Common name: 3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine
• Chemical name: 3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine
• Formula: C22 H41 N5 O3 Si2
• Calculated formula: C22 H41 N5 O3 Si2
• SMILES: n1cnc2c(c1N)ncn2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O1)CO[Si](C)(C)C(C)(C)C
• 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: 7.5 ± 0.0001 Å
• b: 8.329 ± 0.0001 Å
• c: 43.319 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706.03 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0422
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No