Information card for entry 7154658

Structure parameters

• Formula: C27 H22 O
• Calculated formula: C27 H22 O
• SMILES: C(#CC(=C\c1ccc(cc1)C)/C(=C/C=O)/c1ccccc1)c1ccc(cc1)C
• 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: 8.7294 ± 0.0017 Å
• b: 9.0226 ± 0.0018 Å
• c: 13.246 ± 0.003 Å
• α: 89.48 ± 0.03°
• β: 79.49 ± 0.03°
• γ: 89.81 ± 0.03°
• Cell volume: 1025.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0615
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No