Information card for entry 1555352

Structure parameters

• Formula: C24 H20 O2
• Calculated formula: C24 H20 O2
• SMILES: O1C2(c3c(cccc3)C(=C2c2c(C1)cccc2)C)c1ccc(OC)cc1
• Title of publication: Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides.
• Authors of publication: Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5220 - 5223
• a: 10.2764 ± 0.0008 Å
• b: 23.0983 ± 0.0019 Å
• c: 7.47 ± 0.0006 Å
• α: 90°
• β: 101.197 ± 0.002°
• γ: 90°
• Cell volume: 1739.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No