Information card for entry 7154660

Structure parameters

• Formula: C32 H26 O4
• Calculated formula: C32 H26 O4
• SMILES: O=C(OC)C1=C([C@H]2C(=C(C#Cc3ccccc3)[C@]1(c1ccccc1)C2)c1ccc(cc1)C)C(=O)OC.O=C(OC)C1=C([C@@H]2C(=C(C#Cc3ccccc3)[C@@]1(c1ccccc1)C2)c1ccc(cc1)C)C(=O)OC
• Title of publication: Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.
• Authors of publication: Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 39
• Pages of publication: 10060 - 10071
• a: 40.689 ± 0.0012 Å
• b: 7.9939 ± 0.0002 Å
• c: 15.8777 ± 0.0007 Å
• α: 90°
• β: 101.669 ± 0.003°
• γ: 90°
• Cell volume: 5057.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No