Information card for entry 1572563

Structure parameters

• Formula: C59 H58 Cl2 N4 O6
• Calculated formula: C59 H58 Cl2 N4 O6
• Title of publication: N-Heterocyclic carbene-initiated epoxide/anhydride ring-opening copolymerization: effective and selective organoinitiators for the production of various polyesters
• Authors of publication: Printz, Gaël; Shuvo, Redoy Gazi; Schweizer, Antoine; Ryzhakov, Dmytro; Gourlaouen, Christophe; Lantigner, Lielou; Jacques, Béatrice; Messaoudi, Samir; Le Bideau, Franck; Dagorne, Samuel
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 3901 - 3906
• a: 8.0672 ± 0.0003 Å
• b: 13.059 ± 0.0007 Å
• c: 24.6529 ± 0.0012 Å
• α: 90°
• β: 90.676 ± 0.002°
• γ: 90°
• Cell volume: 2597 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No