Information card for entry 7245984

Structure parameters

• Formula: C27 H27 Cl N4 O5
• Calculated formula: C27 H27 Cl N4 O5
• Title of publication: An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control
• Authors of publication: Alizadeh, Abdolali; Bagherinejad, Akram; Kayanian, Jasmine; Vianello, Robert
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 54
• Pages of publication: 34946 - 34950
• a: 9.7052 ± 0.0019 Å
• b: 13.015 ± 0.003 Å
• c: 19.712 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2489.9 ± 0.9 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No