Information card for entry 7154661

Structure parameters

• Formula: C33 H30 O4
• Calculated formula: C33 H30 O4
• SMILES: O(C(=O)[C@H]1[C@@]2(C(=C([C@H]([C@H]1C(=O)OC)C2)c1ccccc1)C#Cc1ccc(cc1)C)c1ccc(cc1)C)C.O(C(=O)[C@@H]1[C@]2(C(=C([C@@H]([C@@H]1C(=O)OC)C2)c1ccccc1)C#Cc1ccc(cc1)C)c1ccc(cc1)C)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: 9.648 ± 0.004 Å
• b: 12.704 ± 0.005 Å
• c: 13.199 ± 0.005 Å
• α: 118.354 ± 0.005°
• β: 94.509 ± 0.006°
• γ: 101.854 ± 0.006°
• Cell volume: 1363.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1462
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.3182
• Weighted residual factors for all reflections included in the refinement: 0.3477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No