Information card for entry 7233452

Structure parameters

• Common name: 7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane
• Chemical name: 7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane
• Formula: C21 H20 N4
• Calculated formula: C21 H20 N4
• Title of publication: Hierarchical assembly of a molecular material through the amorphous phase and the evolution of its fluorescence emission
• Authors of publication: Ch. G. Chandaluri; T. P. Radhakrishnan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4464 - 4471
• a: 9.4123 ± 0.0007 Å
• b: 12.9289 ± 0.001 Å
• c: 14.5929 ± 0.0011 Å
• α: 90°
• β: 99.292 ± 0.001°
• γ: 90°
• Cell volume: 1752.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No