Information card for entry 7127485

Structure parameters

• Formula: C25 H16 O2
• Calculated formula: C25 H16 O2
• SMILES: O1C(=C(c2ccccc2)c2c3c1ccc(c3ccc2)C=O)c1ccccc1
• Title of publication: Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.
• Authors of publication: Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 95
• Pages of publication: 15080 - 15083
• a: 8.30435 ± 0.00019 Å
• b: 23.1463 ± 0.0004 Å
• c: 9.755 ± 0.0002 Å
• α: 90°
• β: 108.672 ± 0.003°
• γ: 90°
• Cell volume: 1776.37 ± 0.07 ų
• Cell temperature: 296.75 ± 0.18 K
• Ambient diffraction temperature: 296.75 ± 0.18 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No