Information card for entry 8107248

Structure parameters

• Formula: C19 H17 Br O3
• Calculated formula: C19 H17 Br O3
• Title of publication: Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3
• Authors of publication: Zhang, Yu-Long; Liu, Shu-Lian; Hou, Gui-Ge; Wang, Lei; Zhang, Xiao-Fan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 907 - 909
• a: 8.2887 ± 0.0007 Å
• b: 8.419 ± 0.0012 Å
• c: 13.1164 ± 0.0015 Å
• α: 93.634 ± 0.011°
• β: 90.609 ± 0.009°
• γ: 118.201 ± 0.011°
• Cell volume: 804.17 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No