Information card for entry 7230822

Structure parameters

• Formula: C39 H40 Cl2 N2 O8
• Calculated formula: C39 H40 Cl2 N2 O8
• Title of publication: Optically active distorted cyclic triptycenes: chiral stationary phases for HPLC
• Authors of publication: Ikai, Tomoyuki; Nagata, Naoya; Awata, Seiya; Wada, Yuya; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 37
• Pages of publication: 20483
• a: 15.5941 ± 0.0004 Å
• b: 25.2063 ± 0.0006 Å
• c: 17.8185 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7003.9 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No