Information card for entry 7204874

Structure parameters

• Common name: tetrakis-(4-cyanophenyl)methane
• Chemical name: tetrakis-(4-cyanophenyl)methane
• Formula: C29 H16 N4
• Calculated formula: C29 H16 N4
• SMILES: C(c1ccc(cc1)C#N)(c1ccc(cc1)C#N)(c1ccc(cc1)C#N)c1ccc(cc1)C#N
• 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: 9.782 ± 0.001 Å
• b: 11.907 ± 0.002 Å
• c: 20.242 ± 0.003 Å
• α: 90°
• β: 98.13 ± 0.01°
• γ: 90°
• Cell volume: 2334 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No