Information card for entry 7251612

Structure parameters

• Formula: C32 H18 N2 O
• Calculated formula: C32 H18 N2 O
• Title of publication: Fusion of pyrene and phenanthrene through 5<i>H</i>-imidazo[1,2-<i>a</i>]azepine scaffolds: structural tuning for fluorescence labeling and bacterial imaging.
• Authors of publication: Qiu, Nicholas P.; Eradeh, Ramin; Britt, Liam H.; Zhao, Yuming
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 5880 - 5893
• a: 12.4359 ± 0.0003 Å
• b: 15.942 ± 0.0006 Å
• c: 21.1245 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4188 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No