Information card for entry 7135075

Structure parameters

• Formula: C42 H38 N2 O9
• Calculated formula: C38 H30 N2 O8
• Title of publication: Solvent-induced conformational changes in color-tunable hydrogen-bonded organic frameworks.
• Authors of publication: Hu, Longhao; Lin, Chaohui; Zeng, Dailin; Qin, Xianjiao; Lai, Xiao-Li; Gong, Lingshan; Ye, Yingxiang; AlShahrani, Thamraa; Ma, Shengqian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 91
• Pages of publication: 17882 - 17885
• a: 5.9506 ± 0.0004 Å
• b: 11.9443 ± 0.0008 Å
• c: 13.0049 ± 0.0008 Å
• α: 83.657 ± 0.005°
• β: 78.757 ± 0.005°
• γ: 84.862 ± 0.005°
• Cell volume: 898.85 ± 0.1 ų
• Cell temperature: 293.4 ± 0.2 K
• Ambient diffraction temperature: 293.4 ± 0.2 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: 0.0752
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No