Information card for entry 2225376

Structure parameters

• Common name: 2-(naphthalen-2-yl)azulene
• Chemical name: 2-(naphthalen-2-yl)azulene
• Formula: C20 H14
• Calculated formula: C20 H14
• SMILES: c1ccc2c(cc1)cc(c2)c1ccc2c(c1)cccc2
• Title of publication: 2-(Naphthalen-2-yl)azulene
• Authors of publication: Ye, Jian; Shi, Zi-Fa; Sun, Chun-Lin; Xu, Zhu-Guo; Zhang, Hao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o592 - o593
• a: 6.0754 ± 0.0008 Å
• b: 7.6324 ± 0.0011 Å
• c: 14.5662 ± 0.0019 Å
• α: 97.997 ± 0.007°
• β: 97.179 ± 0.006°
• γ: 90.526 ± 0.007°
• Cell volume: 663.38 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes