Information card for entry 2230325

Structure parameters

• Chemical name: (1<i>R</i>,2<i>S</i>)-[(<i>R</i>)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-ethynylcyclopropane-1-carboxylate
• Formula: C26 H18 O3
• Calculated formula: C26 H18 O3
• SMILES: Oc1ccc2ccccc2c1c1c(OC(=O)[C@@H]2C[C@@H]2C#C)ccc2ccccc12
• Title of publication: (1<i>R</i>,2<i>S</i>)-[(<i>R</i>)-1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-ethynylcyclopropane-1-carboxylate
• Authors of publication: Fan, Jinlong; Qin, Zhaohai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1342
• a: 8.0376 ± 0.0011 Å
• b: 12.06 ± 0.0017 Å
• c: 20.324 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1970.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes