Information card for entry 7131807

Structure parameters

• Formula: C75 H62 O13
• Calculated formula: C75 H62 O13
• Title of publication: Pd-Catalyzed Regioselective Rollover Dual C-H Annulation Cascade: Facile Approach to phenanthrene derivatives
• Authors of publication: Naveen Kumar, Muniganti; Suresh, Vavilapalli; Nagi Reddy, Attunuri; Nanubolu, Jagadesh Babu; Maddi, Sridhar Reddy
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.0982 ± 0.0019 Å
• b: 11.617 ± 0.003 Å
• c: 13.448 ± 0.003 Å
• α: 86.075 ± 0.006°
• β: 79.905 ± 0.004°
• γ: 71.038 ± 0.004°
• Cell volume: 1468.8 ± 0.6 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: 0.0694
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No