Information card for entry 7216910

Structure parameters

• Formula: C54 H84 N8 O6 Si4
• Calculated formula: C54 H84 N8 O6 Si4
• SMILES: [Si](OCn1cnc2c(n(c(=O)nc12)CO[Si](C)(C)C(C)(C)C)C1C(C(C1c1ccccc1)c1n(c(=O)nc2n(cnc12)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Synthesis of 6-substituted purin-2-ones with potential cytokinin activity
• Authors of publication: Andresen, Geir; Eriksen, Aud Berglen; Dalhus, Bjørn; Gundersen, Lise-Lotte; Rise, Frode
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1662
• a: 11.7867 ± 0.0003 Å
• b: 15.9615 ± 0.0004 Å
• c: 33.1308 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6233 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No