Information card for entry 1544137

Structure parameters

• Chemical name: 4,4'-Isopropylidenediphenyl bis(3-phenylpropiolate)
• Formula: C33 H24 O4
• Calculated formula: C33 H24 O4
• SMILES: O=C(Oc1ccc(cc1)C(C)(C)c1ccc(OC(=O)C#Cc2ccccc2)cc1)C#Cc1ccccc1
• Title of publication: Cu(i)-Catalyzed amino-yne click polymerization
• Authors of publication: He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 48
• Pages of publication: 7375
• a: 8.8102 ± 0.0008 Å
• b: 12.129 ± 0.0011 Å
• c: 13.7804 ± 0.0011 Å
• α: 105.048 ± 0.008°
• β: 91.812 ± 0.007°
• γ: 110.568 ± 0.008°
• Cell volume: 1319.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No