Information card for entry 2227675

Structure parameters

• Chemical name: (2<i>E</i>)-2-Benzylidene-5,6-dimethoxyindan-1-one
• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• SMILES: O=C1c2cc(OC)c(OC)cc2C/C1=C\c1ccccc1
• Title of publication: (2<i>E</i>)-2-Benzylidene-5,6-dimethoxyindan-1-one
• Authors of publication: Ali, Mohamed Ashraf; Ismail, Rusli; Tan, Soo Choon; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2531 - o2532
• a: 6.0209 ± 0.0006 Å
• b: 14.855 ± 0.0014 Å
• c: 15.2292 ± 0.0015 Å
• α: 90°
• β: 90.603 ± 0.002°
• γ: 90°
• Cell volume: 1362 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0586
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes