Information card for entry 4127584

Structure parameters

• Formula: C32 H47 Cl F12 N5 O0.5 P2 Se2
• Calculated formula: C30 H42 Cl F12 N5 P2 Se2
• Title of publication: Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.
• Authors of publication: Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8807 - 8815
• a: 12.5792 ± 0.0004 Å
• b: 12.9314 ± 0.0004 Å
• c: 15.3966 ± 0.0005 Å
• α: 102.596 ± 0.0014°
• β: 96.241 ± 0.002°
• γ: 113.505 ± 0.0013°
• Cell volume: 2187.18 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No