Information card for entry 7009431

Structure parameters

• Formula: C27 H21 F6 N4 P
• Calculated formula: C27 H21 F6 N4 P
• SMILES: n1ccccc1c1nc(cc(c1)c1cc[n+](cc1)Cc1ccccc1)c1ncccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Development of supramolecular structure through alkylation of pendant pyridyl functionality
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Phillips, David; Raithby, Paul R.; Schofield, Emma; Sparr, Emma; Tocher, Derek A.; Zehnder, Margareta; Zimmermann, Yves
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2219
• a: 10.1186 ± 0.0003 Å
• b: 10.4515 ± 0.0002 Å
• c: 13.5992 ± 0.0005 Å
• α: 110.415 ± 0.002°
• β: 94.794 ± 0.002°
• γ: 107.592 ± 0.002°
• Cell volume: 1255.73 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0812
• Goodness-of-fit parameter for significantly intense reflections: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No