Information card for entry 4025948

Structure parameters

• Formula: C39 H44 F6 N2 O10 P
• Calculated formula: C38 H28 F6 N2 O10 P
• Title of publication: Folding and Unfolding Movements in a [2]Pseudorotaxane
• Authors of publication: Moorthy Suresh; Amal Kumar Mandal; Manoj K. Kesharwani; N. N. Adarsh; Bishwajit Ganguly; Ravi Kumar Kanaparthi; Anunay Samanta; Amitava Das
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 138 - 144
• a: 32.186 ± 0.004 Å
• b: 11.5459 ± 0.0013 Å
• c: 12.7286 ± 0.0015 Å
• α: 90°
• β: 104.996 ± 0.003°
• γ: 90°
• Cell volume: 4569.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.237
• Residual factor for significantly intense reflections: 0.1828
• Weighted residual factors for significantly intense reflections: 0.4525
• Weighted residual factors for all reflections included in the refinement: 0.4747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.493
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No