Information card for entry 7202020

Structure parameters

• Formula: C25 H26 N6
• Calculated formula: C25 H26 N6
• SMILES: N(=N/c1[nH]c(cc1)C(c1[nH]c(/N=N/c2ccccc2)cc1)(CC)CC)\c1ccccc1
• Title of publication: Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane
• Authors of publication: Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 957
• a: 18.264 ± 0.005 Å
• b: 20.537 ± 0.005 Å
• c: 24.233 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9090 ± 4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No