Information card for entry 1559213

Structure parameters

• Formula: C58 H90 Cl2 N2 O3
• Calculated formula: C58 H90 Cl2 N2 O3
• Title of publication: N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis
• Authors of publication: Trybuła, Danuta; Marszałek-Harych, Aleksandra; Gazińska, Małgorzata; Berski, Sławomir; Jędrzkiewicz, Dawid; Ejfler, Jolanta
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 5.923 ± 0.002 Å
• b: 14.601 ± 0.005 Å
• c: 15.874 ± 0.006 Å
• α: 97.16 ± 0.03°
• β: 95.32 ± 0.03°
• γ: 99.12 ± 0.03°
• Cell volume: 1336 ± 0.8 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: 0.2463
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No