Information card for entry 1514885

Structure parameters

• Formula: C25 H30 N4 O2
• Calculated formula: C25 H30 N4 O2
• SMILES: N1(C23N(CCCCC3)CCCN2C(=O)N(C1=O)Cc1ccccc1)Cc1ccccc1
• Title of publication: Latent catalysts based on guanidine templates for polyurethane synthesis
• Authors of publication: Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 904
• a: 10.154 ± 0.002 Å
• b: 10.801 ± 0.002 Å
• c: 11.233 ± 0.002 Å
• α: 69.9 ± 0.03°
• β: 85.34 ± 0.03°
• γ: 70.13 ± 0.03°
• Cell volume: 1087.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No