Information card for entry 1570100

Structure parameters

• Common name: 1-Methyl-3-(2-naphthyl)cyclopentadiene
• Chemical name: 1-Methyl-3-(naphthalen-2-yl)cyclopentadiene
• Formula: C16 H14
• Calculated formula: C16 H14
• Title of publication: 1-Methyl-3-(naphthalen-2-yl)cyclopentadiene
• Authors of publication: Michailidis, Melina; Bonitatibus Jr, Peter J.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 10
• a: 15.1769 ± 0.0004 Å
• b: 5.8576 ± 0.0002 Å
• c: 25.2717 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2246.66 ± 0.12 ų
• Cell temperature: 108 ± 3 K
• Ambient diffraction temperature: 108 ± 3 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No