Information card for entry 7128299

Structure parameters

• Formula: C36 H23 N O2
• Calculated formula: C36 H23 N O2
• SMILES: O=C1N(C(=O)c2c3c1cccc3c(c1c3ccc4c5c6c7c(c(c1)ccc7ccc6cc4)c35)cc2)CCCC
• Title of publication: A palate of fluorescent corannulene derivatives: synthesis, spectroscopic properties, and bio-imaging application.
• Authors of publication: Wang, Yali; Jiang, Haiyan; Liu, Xueling; Xu, Jun; Gao, Yan; Finney, Nathaniel S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 47
• Pages of publication: 5818 - 5821
• a: 17.1874 ± 0.0005 Å
• b: 7.5058 ± 0.0003 Å
• c: 37.0743 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4782.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.077
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No