Information card for entry 7251614

Structure parameters

• Formula: C32 H16 N2 O
• Calculated formula: C32 H16 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: 3.9507 ± 0.0001 Å
• b: 17.9552 ± 0.0004 Å
• c: 13.8102 ± 0.0004 Å
• α: 90°
• β: 96.658 ± 0.002°
• γ: 90°
• Cell volume: 973.03 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No