Information card for entry 4128541

Structure parameters

• Formula: C45 H28 Cl6 O6
• Calculated formula: C45 H28 Cl6 O6
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.O1c2c(c3c(cc2)cccc3)c2c(OC1)c1OCOc3c(c1c1c2cccc1)c1c(c2c3OCOc3c2c2c(cc3)cccc2)cccc1
• Title of publication: Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.
• Authors of publication: Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 11852 - 11857
• a: 9.093 ± 0.002 Å
• b: 19.7 ± 0.005 Å
• c: 21.859 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3915.6 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No