Information card for entry 7204872

Structure parameters

• Common name: bis(4-nitrophenyl)diphenylmethane-water
• Chemical name: bis(4-nitrophenyl)diphenylmethane-water
• Formula: C75 H58 N6 O14
• Calculated formula: C75 H57.99 N6 O13.99
• 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: 20.909 ± 0.002 Å
• b: 20.909 ± 0.002 Å
• c: 25.247 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9559 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No