Information card for entry 2004444

Structure parameters

• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: Cc1ccc2c(c1)C(=C(\c1ccccc1)C)/C(=O)O2
• Title of publication: 5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one
• Authors of publication: Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 94 - 95
• a: 9.89 ± 0.005 Å
• b: 9.258 ± 0.004 Å
• c: 8.878 ± 0.005 Å
• α: 108.26 ± 0.04°
• β: 78.48 ± 0.04°
• γ: 67.38 ± 0.04°
• Cell volume: 663.3 ± 0.7 ų
• Cell temperature: 293 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 significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for significantly intense reflections: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No