Information card for entry 2203079

Structure parameters

• Formula: C46 H38 O6
• Calculated formula: C46 H38 O6
• SMILES: Oc1c(c2c(cc1)cccc2)c1c(O)c(cc2ccccc12)c1c(O)c(c2c(c1)cccc2)c1c(O)ccc2ccccc12.O=C(C)C.O=C(C)C
• Title of publication: Unique hydrogen bonding in the acetone-mediated helical structure of (<i>R</i>,<i>R</i>)-3,3'-bisBINOL
• Authors of publication: Kawanami, Toshio; Ishizuka, Kentaro; Furuno, Hiroshi; Inanaga, Junji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o97 - o98
• a: 13.403 ± 0.002 Å
• b: 15.5692 ± 0.001 Å
• c: 17.235 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3596.5 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes