Information card for entry 1559212

Structure parameters

• Formula: C233 H374 Cl10 N8 O18
• Calculated formula: C233 H374 Cl10 N8 O18
• 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: 46.281 ± 0.013 Å
• b: 10.16 ± 0.003 Å
• c: 31.262 ± 0.008 Å
• α: 90°
• β: 128.04 ± 0.03°
• γ: 90°
• Cell volume: 11577 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2082
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No