Information card for entry 7200207

Structure parameters

• Common name: bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate
• Chemical name: bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate
• Formula: C46 H48 O6
• Calculated formula: C46 H48 O6
• SMILES: C1OCCOCCOCCOC1.C(c1ccccc1)(O)(c1ccccc1)c1ccccc1.C(c1ccccc1)(O)(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: 8.3614 ± 0.0007 Å
• b: 10.4963 ± 0.0009 Å
• c: 11.71 ± 0.001 Å
• α: 82.114 ± 0.002°
• β: 86.716 ± 0.002°
• γ: 66.74 ± 0.002°
• Cell volume: 935.25 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No