Information card for entry 7158161

Structure parameters

• Formula: C19 H30 N4 O12
• Calculated formula: C19 H30 N4 O12
• Title of publication: Gem-dimethyl peptide nucleic acid (α/β/γ-<i>gdm</i>-PNA) monomers: synthesis and the role of <i>gdm</i>-substituents in preferential stabilisation of <i>Z</i>/<i>E</i>-rotamers.
• Authors of publication: Kulkarni, Pradnya; Datta, Dhrubajyoti; Ramabhadran, Raghunath O.; Ganesh, Krishna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 29
• Pages of publication: 6534 - 6545
• a: 8.694 ± 0.002 Å
• b: 18.217 ± 0.004 Å
• c: 34.494 ± 0.009 Å
• α: 89.931 ± 0.004°
• β: 89.94 ± 0.004°
• γ: 89.969 ± 0.005°
• Cell volume: 5463 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3769
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.3326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No