Information card for entry 8000012

Structure parameters

• Formula: C30 H35 N5
• Calculated formula: C30 H35 N5
• SMILES: N1(CCCCC1)c1ccc(cc1)/C=C/c1nc(nc(n1)/C=C/c1ccc(N2CCCCC2)cc1)C
• Title of publication: Cooperative Enhancement of Two-photon Absorption of Multibranched Compounds with Vinylenes Attaching to the s-Triazine Core
• Authors of publication: Yue-Zhi Cui; Qi Fang; Gang Xue; Gui-Bao Xu; Lei Yin; Wen-Tao Yu
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 644
• a: 15.363 ± 0.0016 Å
• b: 9.2689 ± 0.0011 Å
• c: 18.785 ± 0.003 Å
• α: 90°
• β: 97.508 ± 0.009°
• γ: 90°
• Cell volume: 2652 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.3181
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.3128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No