Information card for entry 1552825

Structure parameters

• Formula: C62 H38 Cl4 N2 O4
• Calculated formula: C62 H38 Cl4 N2 O4
• SMILES: Clc1cc(Cl)c2Oc3ccc(cc3)C(=C(c3ccccc3)c3ccccc3)c3ccc(Oc4nc(Oc5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccc(Oc1n2)cc6)cc5)c(Cl)cc4Cl)cc3
• Title of publication: Porous Organic Polymer from Aggregation-Induced Emission Macrocycle for White-Light Emission
• Authors of publication: Wang, Zhen; Yan, Sen; Cui, Huang-Chen; Cheng, Guang; Ma, Hui; Zhang, Qing-Mei; Zhang, Qing-Pu; Liu, Jun-Min; Tan, Bien; Zhang, Chun
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 19
• Pages of publication: 7863
• a: 35.279 ± 0.005 Å
• b: 12.2498 ± 0.0016 Å
• c: 12.5944 ± 0.0016 Å
• α: 90°
• β: 94.96 ± 0.002°
• γ: 90°
• Cell volume: 5422.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No