Information card for entry 1573801

Structure parameters

• Formula: C24 H20
• Calculated formula: C24 H20
• SMILES: c12c3c(ccc1)CCc1c4c(c(ccc4)CCc2ccc3)ccc1
• Title of publication: On the nature of the triplet electronic states of naphthalene dimers.
• Authors of publication: Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 4469 - 4479
• a: 8.421 ± 0.0017 Å
• b: 13.116 ± 0.003 Å
• c: 15.113 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No