Information card for entry 1554284

Structure parameters

• Formula: C32 H22 N2 O2
• Calculated formula: C32 H22 N2 O2
• SMILES: C1CN2C(c3ccccc3)Oc3ccc4ccc5ccc6OC(N1c1c2c3c4c5c61)c1ccccc1
• Title of publication: Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives
• Authors of publication: Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 1679
• a: 5.3397 ± 0.0005 Å
• b: 12.5882 ± 0.001 Å
• c: 17.165 ± 0.0013 Å
• α: 95.56 ± 0.003°
• β: 94.461 ± 0.003°
• γ: 101.447 ± 0.003°
• Cell volume: 1119.93 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1775
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No