Information card for entry 2011823

Structure parameters

• Chemical name: Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tripyridine
• Formula: C49 H47 N11 O4 S2
• Calculated formula: C49 H47 N11 O4 S2
• SMILES: c1ccncc1.c1ccncc1.c1ccncc1.S=C1N/N=C/c2ccccc2OCCOc2ccccc2/C=N/NC(=S)N/N=C/c2c(OCCOc3c(/C=N/N1)cccc3)cccc2
• Title of publication: Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tris(pyridine) solvate
• Authors of publication: Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Karalai, Chatchanok; Zhang, Hao; Xie, Fu-Xin; Tian, Yu-Peng; Ma, Wen; Zhang, Yin-Han; Ni, Shi-Sheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 289 - 290
• a: 12.1752 ± 0.0002 Å
• b: 22.2029 ± 0.0001 Å
• c: 19.8479 ± 0.0004 Å
• α: 90°
• β: 117.168 ± 0.001°
• γ: 90°
• Cell volume: 4773.42 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.135
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes