Information card for entry 1559892

Structure parameters

• Formula: C23 H24 O
• Calculated formula: C23 H24 O
• SMILES: O(c1cccc2C(=C\c3ccc(cc3)C)/[C@H]3[C@@H]4CC[C@H]([C@H]3c12)C4)C.O(c1cccc2C(=C\c3ccc(cc3)C)/[C@@H]3[C@H]4CC[C@@H]([C@@H]3c12)C4)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: 9.4684 ± 0.0006 Å
• b: 10.1128 ± 0.0006 Å
• c: 11.1589 ± 0.0009 Å
• α: 111.746 ± 0.007°
• β: 114.773 ± 0.007°
• γ: 91.316 ± 0.005°
• Cell volume: 880.77 ± 0.13 ų
• Cell temperature: 293 ± 2 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: 0.0685
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No