Information card for entry 7154662

Structure parameters

• Formula: C34 H32 O4
• Calculated formula: C34 H32 O4
• SMILES: C1(=C([C@H]2[C@@H]([C@@H]([C@@]1(C2)c1ccc(cc1)C)C(=O)OC)C(=O)OC)c1ccc(cc1)C)C#Cc1ccc(cc1)C.C1(=C([C@@H]2[C@H]([C@H]([C@]1(C2)c1ccc(cc1)C)C(=O)OC)C(=O)OC)c1ccc(cc1)C)C#Cc1ccc(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: 10.0941 ± 0.0005 Å
• b: 12.7419 ± 0.0005 Å
• c: 13.2345 ± 0.0008 Å
• α: 117.981 ± 0.005°
• β: 94.366 ± 0.005°
• γ: 104.498 ± 0.004°
• Cell volume: 1417.55 ± 0.16 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: 0.0602
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No