Information card for entry 7110707

Structure parameters

• Common name: 3',O-4'-C-methylene-5-methyluridine
• Chemical name: 3',O-4'-C-methylene-5-methyluridine
• Formula: C11 H16 N2 O7
• Calculated formula: C11 H16 N2 O7
• SMILES: N1(C(=O)NC(=O)C(=C1)C)[C@@H]1O[C@@]2([C@@H](OC2)[C@H]1O)CO.O
• Title of publication: Facile synthesis and conformation of 3′-O,4′-C-methyleneribonucleosides
• Authors of publication: Obika, Satoshi; Morio, Ken-ichiro; Hari, Yoshiyuki; Imanishi, Takeshi
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2423
• a: 8.6242 ± 0.001 Å
• b: 20.6008 ± 0.0008 Å
• c: 7.2767 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1292.8 ± 0.3 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 4
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0806
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No