Information card for entry 7058589

Structure parameters

• Formula: C29 H41 N O Si
• Calculated formula: C29 H41 N O Si
• Title of publication: Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect
• Authors of publication: Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 12042
• a: 5.837 ± 0.003 Å
• b: 9.73 ± 0.005 Å
• c: 23.888 ± 0.012 Å
• α: 80.11 ± 0.03°
• β: 87.86 ± 0.04°
• γ: 89.82 ± 0.04°
• Cell volume: 1335.6 ± 1.2 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: 0.1735
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No