Information card for entry 7232158

Structure parameters

• Formula: C37 H28 N2 O3
• Calculated formula: C37 H28 N2 O3
• Title of publication: Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.
• Authors of publication: Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 3218 - 3226
• a: 10.465 ± 0.002 Å
• b: 15.416 ± 0.003 Å
• c: 18.321 ± 0.004 Å
• α: 90°
• β: 103.26 ± 0.03°
• γ: 90°
• Cell volume: 2876.9 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0991
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No