Information card for entry 1565117

Structure parameters

• Formula: C30 H19 Cl N2
• Calculated formula: C30 H19 Cl N2
• SMILES: Clc1c(n2c3ccccc3c3ccccc23)cccc1n1c2ccccc2c2ccccc12
• 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: 9.2679 ± 0.0008 Å
• b: 14.4507 ± 0.0011 Å
• c: 25.754 ± 0.002 Å
• α: 89.104 ± 0.003°
• β: 88.444 ± 0.003°
• γ: 81.598 ± 0.003°
• Cell volume: 3410.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No