Information card for entry 7159985

Structure parameters

• Formula: C28 H33 Br N2 O
• Calculated formula: C28 H33 Br N2 O
• Title of publication: 1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.
• Authors of publication: Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 27
• Pages of publication: 5636 - 5645
• a: 10.0089 ± 0.0004 Å
• b: 11.1233 ± 0.0005 Å
• c: 12.0576 ± 0.0005 Å
• α: 104.087 ± 0.001°
• β: 108.984 ± 0.001°
• γ: 90.413 ± 0.002°
• Cell volume: 1225.74 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No