Information card for entry 7051736

Structure parameters

• Formula: C76 H82 N4 O2
• Calculated formula: C76 H82 N4 O2
• SMILES: c1ccnc(c1)c1ccc(cn1)c1ccc(cc1)c1cc2c(c(c1OCCCCCCCCCCCC)c1c3c(cc(c1OCCCCCCCCCCCC)c1ccc(cc1)c1cnc(cc1)c1ccccn1)cccc3)cccc2
• Title of publication: Ultrasound-promoted chiral fluorescent organogel
• Authors of publication: He, Yabing; Bian, Zheng; Kang, Chuanqing; Jin, Rizhe; Gao, Lianxun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2073
• a: 7.884 ± 0.0005 Å
• b: 24.18 ± 0.0015 Å
• c: 26.806 ± 0.0016 Å
• α: 114.619 ± 0.009°
• β: 92.681 ± 0.009°
• γ: 96.014 ± 0.01°
• Cell volume: 4596.9 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No