Information card for entry 7051734

Structure parameters

• Formula: C28 H22 N2 O
• Calculated formula: C28 H22 N2 O
• SMILES: c1cccc2c1cc(c(c2)c1ccc(cc1)c1cnc(cc1)c1ccccn1)OCC
• 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: 7.6624 ± 0.0006 Å
• b: 24.225 ± 0.002 Å
• c: 11.3419 ± 0.001 Å
• α: 90°
• β: 102.611 ± 0.001°
• γ: 90°
• Cell volume: 2054.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No