Information card for entry 1554671

Structure parameters

• Formula: C33 H23 B F2 O3
• Calculated formula: C33 H23 B F2 O3
• SMILES: F[B]1(F)OC(=CC(=[O]1)c1occc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• Title of publication: Deep insights into polymorphism initiated by exploring multicolor conversion materials
• Authors of publication: Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1661
• a: 8.788 ± 0.004 Å
• b: 10.446 ± 0.004 Å
• c: 15.407 ± 0.006 Å
• α: 70.818 ± 0.01°
• β: 88.67 ± 0.01°
• γ: 79.808 ± 0.01°
• Cell volume: 1313.8 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1887
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No