Information card for entry 7132854

Structure parameters

• Chemical name: Naphthylidene butenolide
• Formula: C21 H14 O2
• Calculated formula: C21 H14 O2
• Title of publication: Carbene-mediated stereoselective olefination of vinyl sulfoxonium ylides with diazo compounds and acetals.
• Authors of publication: Gopalakrishnan, Dinesh Kumar; Bhardwaj, Srashti; Kumar, Sandeep; Karmakar, Tarak; Vaitla, Janakiram
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3846 - 3849
• a: 8.1483 ± 0.0007 Å
• b: 18.778 ± 0.0015 Å
• c: 9.9744 ± 0.0008 Å
• α: 90°
• β: 98.77 ± 0.003°
• γ: 90°
• Cell volume: 1508.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No