Information card for entry 4034939

Structure parameters

• Formula: C26 H26 O
• Calculated formula: C26 H26 O
• SMILES: O(c1c2[C@@H]3[C@H](C(=C\c4ccc(cc4)C)/c2ccc1)[C@@H]1C[C@H]3[C@H]2[C@@H]1C=CC2)C.O(c1c2[C@H]3[C@@H](C(=C\c4ccc(cc4)C)/c2ccc1)[C@H]1C[C@@H]3[C@@H]2[C@H]1C=CC2)C
• Title of publication: Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.
• Authors of publication: Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 4441 - 4454
• a: 11.6446 ± 0.0004 Å
• b: 7.3696 ± 0.0002 Å
• c: 23.0316 ± 0.0008 Å
• α: 90°
• β: 94.897 ± 0.003°
• γ: 90°
• Cell volume: 1969.27 ± 0.11 ų
• Cell temperature: 294.05 ± 0.1 K
• Ambient diffraction temperature: 294.05 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No