Information card for entry 7234829

Structure parameters

• Formula: C27 H19 B F2 I2 N2 O0
• Calculated formula: C27 H19 B F2 I2 N2
• SMILES: Ic1ccc([N]2=C(c3ccccc3)C=C(N(c3ccccc3)[B]2(F)F)c2ccc(I)cc2)cc1
• Title of publication: Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates
• Authors of publication: Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 5314 - 5319
• a: 9.714 ± 0.002 Å
• b: 10.007 ± 0.002 Å
• c: 13.415 ± 0.003 Å
• α: 104.363 ± 0.007°
• β: 99.942 ± 0.007°
• γ: 99.426 ± 0.007°
• Cell volume: 1214.8 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No