Information card for entry 1565115

Structure parameters

• Formula: C30 H19 Cl N2
• Calculated formula: C30 H19 Cl N2
• SMILES: Clc1ccc(n2c3ccccc3c3ccccc23)cc1n1c2ccccc2c2ccccc12
• Title of publication: Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect
• Authors of publication: Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 41
• Pages of publication: 22848 - 22855
• a: 16.6705 ± 0.0015 Å
• b: 13.9677 ± 0.0012 Å
• c: 9.4774 ± 0.0008 Å
• α: 90°
• β: 93.11 ± 0.002°
• γ: 90°
• Cell volume: 2203.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No