Information card for entry 7126138

Structure parameters

• Formula: C33 H33 Cl N6 O
• Calculated formula: C33 H33 Cl N6 O
• Title of publication: 'Atypical Ugi' tetrazoles.
• Authors of publication: Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1799 - 1802
• a: 9.0985 ± 0.0003 Å
• b: 10.3538 ± 0.0003 Å
• c: 30.3383 ± 0.001 Å
• α: 90°
• β: 97.525 ± 0.003°
• γ: 90°
• Cell volume: 2833.38 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1223
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.3278
• Weighted residual factors for all reflections included in the refinement: 0.3461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No