Information card for entry 7204875

Structure parameters

• Common name: tetrakis-(4-cyanophenyl)methane-MeCN
• Chemical name: tetrakis-(4-cyanophenyl)methane-MeCN
• Formula: C29 H16 N4
• Calculated formula: C29 H16 N4
• SMILES: N#Cc1ccc(C(c2ccc(cc2)C#N)(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
• Title of publication: Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/
• Authors of publication: Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 25
• Pages of publication: 120
• a: 15.413 ± 0.003 Å
• b: 17.607 ± 0.003 Å
• c: 18.504 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5021.6 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No