Information card for entry 7213501

Structure parameters

• Formula: C23 H27 N7 O5
• Calculated formula: C23 H27 N7 O5
• SMILES: [C@@H]12C=C[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCNC(=O)Cn1cnc3c1ncnc3NC(=O)OC(C)(C)C)C2
• Title of publication: Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization
• Authors of publication: R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3365 - 3381
• a: 37.962 ± 0.004 Å
• b: 12.6553 ± 0.0008 Å
• c: 9.5517 ± 0.0009 Å
• α: 90°
• β: 91.589 ± 0.008°
• γ: 90°
• Cell volume: 4587.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.1798
• Weighted residual factors for significantly intense reflections: 0.1547
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No