Information card for entry 1552223

Structure parameters

• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: O=C1NC(=O)C(=CN1C/C=C/c1c2c3c4c(cc2)cccc4ccc3cc1)C
• Title of publication: Luminescent pyrenyl-GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cells.
• Authors of publication: Skiba, Joanna; Kowalczyk, Aleksandra; Fik, Marta A.; Gapińska, Magdalena; Trzybiński, Damian; Woźniak, Krzysztof; Vrček, Valerije; Czerwieniec, Rafał; Kowalski, Konrad
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2449 - 2460
• a: 7.4331 ± 0.0002 Å
• b: 8.9471 ± 0.0003 Å
• c: 26.8786 ± 0.0009 Å
• α: 90°
• β: 94.896 ± 0.003°
• γ: 90°
• Cell volume: 1781.03 ± 0.1 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: 0.0643
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No