Information card for entry 7235696

Structure parameters

• Common name: naphthalane
• Chemical name: methyl 4-benzyl-5-methoxynaphthalene-2-carboxylate
• Formula: C20 H18 O3
• Calculated formula: C20 H18 O3
• Title of publication: The Baylis‒Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel‒Crafts cyclization of secondary nitro compounds
• Authors of publication: Basavaiah, Deevi; Reddy, Daggula Mallikarjuna
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 46
• Pages of publication: 23966
• a: 8.1761 ± 0.0014 Å
• b: 8.3698 ± 0.0019 Å
• c: 12.1493 ± 0.0014 Å
• α: 76.098 ± 0.015°
• β: 80.854 ± 0.012°
• γ: 89.732 ± 0.016°
• Cell volume: 796.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No