Information card for entry 2231599

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Bromobenzylidene)indan-1-one
• Formula: C16 H11 Br O
• Calculated formula: C16 H11 Br O
• SMILES: Brc1ccc(cc1)/C=C1\Cc2ccccc2C1=O
• Title of publication: (<i>E</i>)-2-(4-Bromobenzylidene)indan-1-one
• Authors of publication: Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2306 - o2307
• a: 6.1933 ± 0.0007 Å
• b: 4.7441 ± 0.0005 Å
• c: 21.8572 ± 0.0019 Å
• α: 90°
• β: 99.108 ± 0.003°
• γ: 90°
• Cell volume: 634.1 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes