Information card for entry 7234988

Structure parameters

• Formula: C72 H50 N2 O2
• Calculated formula: C72 H50 N2 O2
• Title of publication: Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective
• Authors of publication: Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 39
• Pages of publication: 22384
• a: 9.8397 ± 0.0015 Å
• b: 38.561 ± 0.006 Å
• c: 14.122 ± 0.002 Å
• α: 90°
• β: 100.382 ± 0.008°
• γ: 90°
• Cell volume: 5270.6 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.1486
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No