Information card for entry 7134066

Structure parameters

• Formula: C20 H18 Cl N3 O7
• Calculated formula: C20 H18 Cl N3 O7
• Title of publication: Asymmetric desymmetrization of 2,5-cyclohexadienones initiated by organocatalytic conjugate addition to 4-nitro-5-styrylisoxazoles.
• Authors of publication: Sharma, Manisha; Chauhan, Pankaj
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 7
• Pages of publication: 1455 - 1458
• a: 9.3164 ± 0.0006 Å
• b: 10.0835 ± 0.0006 Å
• c: 42.612 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4003.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0259
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No