Information card for entry 1507347

Structure parameters

• Formula: C27 H43 O4
• Calculated formula: C27 H43.5 O4
• Title of publication: A cyclopentane conformational restraint for a peptide nucleic acid: design, asymmetric synthesis, and improved binding affinity to DNA and RNA.
• Authors of publication: Myers, Michael C.; Witschi, Mark A.; Larionova, Nataliya V.; Franck, John M.; Haynes, Russell D.; Hara, Toshiaki; Grajkowski, Andrzej; Appella, Daniel H.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2695 - 2698
• a: 9.2851 ± 0.0017 Å
• b: 19.449 ± 0.004 Å
• c: 14.737 ± 0.003 Å
• α: 90°
• β: 97.091 ± 0.003°
• γ: 90°
• Cell volume: 2640.9 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No