Information card for entry 7127630

Structure parameters

• Formula: C38 H36 N6 O3
• Calculated formula: C38 H36 N6 O3
• Title of publication: Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.
• Authors of publication: Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1129 - 1132
• a: 10.8951 ± 0.0005 Å
• b: 18.6016 ± 0.0008 Å
• c: 19.3051 ± 0.0009 Å
• α: 90°
• β: 90.318 ± 0.006°
• γ: 90°
• Cell volume: 3912.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No