Information card for entry 1554673

Structure parameters

• Formula: C33 H23 B F2 O3
• Calculated formula: C33 H23 B F2 O3
• SMILES: F[B]1(F)[O]=C(c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)C=C(O1)c1cocc1
• 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: 15.955 ± 0.004 Å
• b: 8.978 ± 0.002 Å
• c: 19.823 ± 0.005 Å
• α: 90°
• β: 113.38 ± 0.005°
• γ: 90°
• Cell volume: 2606.4 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No