Information card for entry 7248109

Structure parameters

• Formula: C12 H6 Br4 N2
• Calculated formula: C12 H6 Br4 N2
• Title of publication: Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism.
• Authors of publication: McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 6834 - 6843
• a: 23.3728 ± 0.0011 Å
• b: 8.6091 ± 0.0004 Å
• c: 14.1715 ± 0.0007 Å
• α: 90°
• β: 102.079 ± 0.005°
• γ: 90°
• Cell volume: 2788.4 ± 0.2 ų
• Cell temperature: 170.15 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 4
• 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: 0.0788
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No