Information card for entry 4026730

Structure parameters

• Formula: C38 H54 N6 O10
• Calculated formula: C38 H58 N6 O10
• Title of publication: Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions
• Authors of publication: Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9216 - 9227
• a: 8.908 ± 0.003 Å
• b: 11.243 ± 0.003 Å
• c: 11.338 ± 0.003 Å
• α: 95.291 ± 0.002°
• β: 112.663 ± 0.006°
• γ: 91.655 ± 0.004°
• Cell volume: 1040.8 ± 0.5 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No