Information card for entry 1568715

Structure parameters

• Formula: C40 H41 B Cl3 D N2
• Calculated formula: C40 H41 B Cl3 D N2
• SMILES: ClC(Cl)(Cl)[2H].n1(c2c(c3c1cccc3)cccc2)Cc1cc(N(C)C)ccc1B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.
• Authors of publication: Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4633 - 4640
• a: 8.5734 ± 0.0003 Å
• b: 14.764 ± 0.0005 Å
• c: 15.258 ± 0.0006 Å
• α: 68.839 ± 0.004°
• β: 87.111 ± 0.003°
• γ: 78.724 ± 0.003°
• Cell volume: 1765.9 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.3332
• Weighted residual factors for all reflections included in the refinement: 0.3422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No