Information card for entry 7061477

Structure parameters

• Formula: C37 H38 Br N O2
• Calculated formula: C37 H38 Br N O2
• Title of publication: Synthesis of spiroindolenine-bearing chroman scaffolds based on a cyclization reaction of para-Quinone methides
• Authors of publication: Qin, Hongmei; Xie, Qimei; He, Long
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 9985 - 9988
• a: 13.643 ± 0.0005 Å
• b: 10.2851 ± 0.0006 Å
• c: 22.304 ± 0.002 Å
• α: 90°
• β: 92.516 ± 0.005°
• γ: 90°
• Cell volume: 3126.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No