Information card for entry 7204420

Structure parameters

• Chemical name: 7,7-bis(N,N-dimethylethylenediamino)- 8,8-dicyanoquinodimethane
• Formula: C18 H26 N6
• Calculated formula: C18 H26 N6
• SMILES: N(C(NCCN(C)C)=C1C=CC(C=C1)=C(C#N)C#N)CCN(C)C
• Title of publication: Steering molecular dipoles from centrosymmetric to a noncentrosymmetric and SHG active assembly using remote functionality and complexationElectronic supplementary information (ESI) available: powder SHG variation with particle size for DMEDQ-TPA. See http://www.rsc.org/suppdata/jm/b2/b202804m/
• Authors of publication: Jayanty, S.; Gangopadhyay, P.; Radhakrishnan, T. P.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2792
• a: 13.121 ± 0.003 Å
• b: 10.192 ± 0.004 Å
• c: 15.463 ± 0.002 Å
• α: 90°
• β: 111.94 ± 0.02°
• γ: 90°
• Cell volume: 1918.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2158
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No