Information card for entry 1559891

Structure parameters

• Formula: C26 H25 O
• Calculated formula: C26 H25 O
• SMILES: O(c1c2c(ccc1)/C(=C/c1ccc(cc1)C)[C@@H]1[C@H]3[C@H]4CC=C[C@H]4[C@@H]([C@H]21)C3)C
• Title of publication: Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.
• Authors of publication: Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2614 - 2622
• a: 11.9345 ± 0.0013 Å
• b: 7.2394 ± 0.0008 Å
• c: 22.679 ± 0.002 Å
• α: 90°
• β: 99.029 ± 0.011°
• γ: 90°
• Cell volume: 1935.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No