Information card for entry 7215424

Structure parameters

• Formula: C23 H34 N6 O4.25
• Calculated formula: C23 H34 N6 O4.25
• Title of publication: Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives
• Authors of publication: Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6021
• a: 12.094 ± 0.004 Å
• b: 12.534 ± 0.004 Å
• c: 18.268 ± 0.006 Å
• α: 75.307 ± 0.004°
• β: 71.083 ± 0.005°
• γ: 78.421 ± 0.005°
• Cell volume: 2512.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.136
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No