Information card for entry 7213502

Structure parameters

• Formula: C18 H18 N6 O4
• Calculated formula: C18 H18 N6 O4
• SMILES: O(C(=O)Cn1c2c(nc1)c(N)ncn2)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C3
• 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: 6.7111 ± 0.0002 Å
• b: 9.2637 ± 0.0005 Å
• c: 15.5593 ± 0.0008 Å
• α: 103.438 ± 0.002°
• β: 98.437 ± 0.003°
• γ: 102.274 ± 0.003°
• Cell volume: 899.54 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No