Information card for entry 4035632

Structure parameters

• Formula: C31 H19 N O3
• Calculated formula: C31 H19 N O3
• Title of publication: Dictating the Reactivity of η³-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.
• Authors of publication: Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 18
• Pages of publication: 11298 - 11308
• a: 13.0898 ± 0.0008 Å
• b: 13.4038 ± 0.0008 Å
• c: 13.8384 ± 0.0008 Å
• α: 67.773 ± 0.002°
• β: 82.535 ± 0.002°
• γ: 89.424 ± 0.003°
• Cell volume: 2226.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No