Information card for entry 7134833

Structure parameters

• Formula: C30 H21 Cl N2 O2
• Calculated formula: C30 H21 Cl N2 O2
• Title of publication: Regioselective construction of pyrido[1,2,3-<i>de</i>]quinoxaline-2,5-diones through acid-mediated post-Ugi rearrangements.
• Authors of publication: Bhumij, Mandweep; Ahamed, Rehan; Kant, Ruchir; Mudedla, Sathish Kumar; Srivastava, Ajay Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 68
• Pages of publication: 12757 - 12760
• a: 9.1913 ± 0.0002 Å
• b: 23.5634 ± 0.0004 Å
• c: 11.1335 ± 0.0002 Å
• α: 90°
• β: 101.65 ± 0.002°
• γ: 90°
• Cell volume: 2361.6 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0576
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No