Information card for entry 7131795

Structure parameters

• Formula: C21 H24 Br N3 O2
• Calculated formula: C21 H24 Br N3 O2
• SMILES: Brc1ccc(C2N3N(C(C(=O)N2OCc2ccccc2)(C)C)CCC3)cc1
• Title of publication: Expedient (3+3)-annulation of <i>in situ</i> generated azaoxyallyl cations with diaziridines.
• Authors of publication: Karjee, Pallab; Mandal, Santu; Debnath, Bijoy; Namdev, Nirali; Punniyamurthy, Tharmalingam
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 53
• Pages of publication: 8270 - 8273
• a: 16.8943 ± 0.0006 Å
• b: 9.1586 ± 0.0003 Å
• c: 13.1298 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2031.55 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No