Information card for entry 7204440

Structure parameters

• Common name: bnp.35x
• Chemical name: 2,2'-dihydroxy-1,1'-binaphthyl 3,5-xylidine clathrate
• Formula: C28 H25 N O2
• Calculated formula: C28 H25 N O2
• SMILES: c1(c2c3c(cccc3)ccc2O)c2c(ccc1O)cccc2.c1c(cc(cc1C)C)N
• Title of publication: Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation
• Authors of publication: Nassimbeni, Luigi R.; Su, Hong
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1246
• a: 8.907 ± 0.002 Å
• b: 8.956 ± 0.003 Å
• c: 13.887 ± 0.002 Å
• α: 98.682 ± 0.017°
• β: 98.451 ± 0.013°
• γ: 94.255 ± 0.019°
• Cell volume: 1077.9 ± 0.5 ų
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No