Information card for entry 7241579

Structure parameters

• Formula: C45 H30 N4
• Calculated formula: C45 H30 N4
• SMILES: N(c1ccc(cc1)/C=C/c1ccc(cc1)C#N)(c1ccc(cc1)/C=C/c1ccc(cc1)C#N)c1ccc(cc1)/C=C/c1ccc(cc1)C#N
• Title of publication: Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli
• Authors of publication: Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 202 - 209
• a: 10.4053 ± 0.0002 Å
• b: 32.028 ± 0.0006 Å
• c: 10.37836 ± 0.00018 Å
• α: 90°
• β: 93.2313 ± 0.0018°
• γ: 90°
• Cell volume: 3453.2 ± 0.11 ų
• Cell temperature: 136 ± 1 K
• Ambient diffraction temperature: 136 ± 1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No