Information card for entry 7155886

Structure parameters

• Formula: C39.5 H25.65 Cl4.35 N2 O2
• Calculated formula: C39.5 H25.6525 Cl4.3475 N2 O2
• Title of publication: Chiral triptycene-pyrene π-conjugated chromophores with circularly polarized luminescence
• Authors of publication: Ikai, Tomoyuki; Wada, Yuya; Awata, Seiya; Yun, Changsik; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 12.4015 ± 0.0003 Å
• b: 12.4015 ± 0.0003 Å
• c: 44.3208 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6816.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No