Information card for entry 2012309

Structure parameters

• Common name: (2-Fluorophenylimino)tripyrrolylphosphorane
• Formula: C18 H16 F N4 P
• Calculated formula: C18 H16 F N4 P
• SMILES: P(=Nc1c(F)cccc1)(n1cccc1)(n1cccc1)n1cccc1
• Title of publication: (2-Fluorophenylimino)tri(1-pyrrolyl)phosphorane
• Authors of publication: Bell, Stephen A.; Meyer, Tara Y.; Geib, Steven J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1341 - 1342
• a: 7.695 ± 0.0015 Å
• b: 14.828 ± 0.003 Å
• c: 8.006 ± 0.0016 Å
• α: 90°
• β: 112.11 ± 0.03°
• γ: 90°
• Cell volume: 846.3 ± 0.3 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes