Information card for entry 4127583

Structure parameters

• Formula: C30 H42 Cl F12 N5 P2
• Calculated formula: C30 H42 Cl F12 N5 P2
• 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: 8.5938 ± 0.0003 Å
• b: 12.6025 ± 0.0005 Å
• c: 18.7895 ± 0.0007 Å
• α: 90.27 ± 0.002°
• β: 98.808 ± 0.002°
• γ: 103.186 ± 0.002°
• Cell volume: 1956.29 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No