Information card for entry 4128542

Structure parameters

• Formula: C42 H22 O6
• Calculated formula: C42 H22 O6
• SMILES: O1c2c3c4c(c5c2OCOc2c5c5c(cc2)cccc5)cccc4Oc2c3c3c(c4c2OCOc2c4c4c(cc2)cccc4)cccc13
• 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: 8.2394 ± 0.0004 Å
• b: 28.4962 ± 0.0012 Å
• c: 12.2667 ± 0.0005 Å
• α: 90°
• β: 90.028 ± 0.006°
• γ: 90°
• Cell volume: 2880.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No