Information card for entry 7134173

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• Title of publication: Pd(II)-catalyzed cyclization of alkyne-tethered malononitriles <i>via</i> nitrile insertion.
• Authors of publication: Nallamilli, Tarun; Munakala, Anandarao; Dhanavath, Ramulu; Mahendran, Hariharan; Chegondi, Rambabu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 14
• Pages of publication: 2957 - 2960
• a: 12.612 ± 0.0014 Å
• b: 5.691 ± 0.0006 Å
• c: 22.766 ± 0.003 Å
• α: 90°
• β: 103.59 ± 0.005°
• γ: 90°
• Cell volume: 1588.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No