Information card for entry 2231027

Structure parameters

• Chemical name: 1-(Benzyloxy)naphthalene
• Formula: C17 H14 O
• Calculated formula: C17 H14 O
• SMILES: O(c1c2c(cccc2)ccc1)Cc1ccccc1
• Title of publication: 1-(Benzyloxy)naphthalene
• Authors of publication: Venkatesan, Perumal; Arunadevi, S.; Mohamed, M. I. Fazal; Ilangovan, Andivelu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1924 - o1925
• a: 13.021 ± 0.0006 Å
• b: 24.8832 ± 0.001 Å
• c: 7.9478 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2575.12 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes