Information card for entry 7204289

Structure parameters

• Common name: H2TCNDQ
• Chemical name: dihydro-tetracyanoquinodiphenoquinodimethane
• Formula: C18 H10 N4
• Calculated formula: C18 H10 N4
• SMILES: C(#N)C(C#N)c1ccc(c2ccc(C(C#N)C#N)cc2)cc1
• Title of publication: Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/
• Authors of publication: Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1693
• a: 25.255 ± 0.005 Å
• b: 7.084 ± 0.0012 Å
• c: 8.26 ± 0.0017 Å
• α: 90°
• β: 98.639 ± 0.013°
• γ: 90°
• Cell volume: 1461 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No