Information card for entry 1554283

Structure parameters

• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: O1CN2[C@@H]3[C@@H](N4c5c2c2c1ccc1c2c2c5c(OC4)ccc2cc1)CCCC3.O1CN2[C@H]3[C@H](N4c5c2c2c1ccc1c2c2c5c(OC4)ccc2cc1)CCCC3
• 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: 8.0334 ± 0.0012 Å
• b: 24.561 ± 0.004 Å
• c: 9.1052 ± 0.0013 Å
• α: 90°
• β: 105.603 ± 0.002°
• γ: 90°
• Cell volume: 1730.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No