Information card for entry 1573398

Structure parameters

• Formula: C34 H28 N2 O6
• Calculated formula: C34 H28 N2 O6
• SMILES: C1(=O)N(C(=C2C(=O)N(C(=C12)c1ccccc1)c1c(OC)cccc1OC)c1ccccc1)c1c(OC)cccc1OC
• Title of publication: Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.
• Authors of publication: Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 910 - 919
• a: 10.6143 ± 0.0004 Å
• b: 13.2575 ± 0.0005 Å
• c: 19.9774 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811.2 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No