Information card for entry 7200211

Structure parameters

• Common name: bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate
• Chemical name: bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate
• Formula: C46 H50 N2 O4
• Calculated formula: C46 H50 N2 O4
• SMILES: C1OCCOCCOCCOC1.C(c1ccccc1)(N)(c1ccccc1)c1ccccc1.C(c1ccccc1)(N)(c1ccccc1)c1ccccc1
• Title of publication: Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures
• Authors of publication: Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 94
• a: 8.4675 ± 0.0008 Å
• b: 10.2973 ± 0.0013 Å
• c: 11.943 ± 0.002 Å
• α: 84.058 ± 0.009°
• β: 88.008 ± 0.012°
• γ: 67.966 ± 0.008°
• Cell volume: 960.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No