Information card for entry 1565116

Structure parameters

• Formula: C30 H19 Cl N2
• Calculated formula: C30 H19 Cl N2
• SMILES: Clc1cc(n2c3ccccc3c3ccccc23)cc(n2c3ccccc3c3ccccc23)c1
• 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: 9.2405 ± 0.0008 Å
• b: 29.612 ± 0.002 Å
• c: 16.2931 ± 0.0013 Å
• α: 90°
• β: 96.573 ± 0.003°
• γ: 90°
• Cell volume: 4429 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No