Information card for entry 1554674

Structure parameters

• Formula: C33 H23 B F2 O3
• Calculated formula: C33 H23 B F2 O3
• SMILES: F[B]1(F)OC(=CC(=[O]1)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccoc1
• 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: 15.958 ± 0.006 Å
• b: 8.99 ± 0.004 Å
• c: 19.915 ± 0.006 Å
• α: 90°
• β: 113.62 ± 0.02°
• γ: 90°
• Cell volume: 2617.7 ± 1.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.177
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No