Information card for entry 7235527

Structure parameters

• Formula: C37 H28 O4
• Calculated formula: C37 H28 O4
• Title of publication: NHC‒gold(i) catalysed [4 + 2] cycloaddition‒acyclic addition of dialkyl substituted propargylic esters with 1,3-diphenylisobenzofuran: synthesis of novel benzo[c]fluorenols and substituted dienes
• Authors of publication: Kotikalapudi, Ramesh; Siva Kumari, A. Leela; Swamy, K. C. Kumara
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 34
• Pages of publication: 17717
• a: 10.5694 ± 0.0014 Å
• b: 16.183 ± 0.004 Å
• c: 16.088 ± 0.004 Å
• α: 90°
• β: 91.002 ± 0.016°
• γ: 90°
• Cell volume: 2751.3 ± 1 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: 0.1085
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No