Information card for entry 7127590

Structure parameters

• Formula: C17 H17 B Cl F N2 O2
• Calculated formula: C17 H17 B Cl F N2 O2
• SMILES: Clc1ccc2[N]3=Cc4c(O[B]3(F)Oc2c1)cc(N(CC)CC)cc4
• Title of publication: Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.
• Authors of publication: Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 97
• Pages of publication: 15305 - 15308
• a: 8.4212 ± 0.0008 Å
• b: 14.1413 ± 0.0016 Å
• c: 13.5406 ± 0.0013 Å
• α: 90°
• β: 101.611 ± 0.007°
• γ: 90°
• Cell volume: 1579.5 ± 0.3 ų
• Cell temperature: 78 ± 2 K
• Ambient diffraction temperature: 78 ± 2 K
• Number of distinct elements: 7
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No