Information card for entry 7160553

Structure parameters

• Chemical name: 1,1'-(4,9-diphenyl-5-(5-phenylisoxazol-3-yl)-2,3-dihydro-1H-cyclopenta[b]naphthalene-2,2-diyl)bis(ethan-1-one)
• Formula: C38 H29 N O3
• Calculated formula: C38 H29 N O3
• Title of publication: Rhodium catalyzed sequential dual C-H annulation of 3-arylisoxazoles with 1,6-diynes to access fused naphthalenes.
• Authors of publication: Kotipalli, Ramesh; Mahipal Reddy, T.; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 5753 - 5757
• a: 6.4891 ± 0.0006 Å
• b: 15.3488 ± 0.0014 Å
• c: 16.4646 ± 0.0014 Å
• α: 96.394 ± 0.003°
• β: 100.99 ± 0.003°
• γ: 95.099 ± 0.003°
• Cell volume: 1589.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No