Information card for entry 7220707

Structure parameters

• Formula: C20 H14 N2
• Calculated formula: C20 H14 N2
• SMILES: c12ccccc1cc1c(c3c(CC1)nc1c(c3)cccc1)n2
• Title of publication: Iron/acetic acid mediated synthesis of 6,7-dihydrodibenzo [b,j] [1,7] phenanthroline derivatives via intramolecular reductive cylization
• Authors of publication: Yao, Ching-Fa; R. R, Rajawinslin.; Ichake, Sachin S.; Kavala, Veerababurao; Gawande, Sachin D.; Huang, Yi-Hsiang; Kuo, Chun-Wei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 4.567 ± 0.001 Å
• b: 11.716 ± 0.003 Å
• c: 26.496 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1417.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.1344
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No