Information card for entry 2201158

Structure parameters

• Chemical name: 1,6-bis(2-furyl)-2,5-bis(3-formyl-2-hydroxy-5-methylbenzyl)-2,5-diazahexane
• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• SMILES: O=Cc1cc(C)cc(c1O)CN(Cc1ccco1)CCN(Cc1cc(C)cc(c1O)C=O)Cc1ccco1
• Title of publication: 1,6-Bis(2-furyl)-2,5-bis(3-formyl-2-hydroxy-5-methylbenzyl)-2,5-diazahexane
• Authors of publication: Shun, Gang-Chun; Li, Yi-Zhi; He, Zhan-Hang; Li, Zhong-Jun; Qu, Jian-Qiang; Liu, Chang-Rang; Wang, Liu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o417 - o418
• a: 5.306 ± 0.001 Å
• b: 16.625 ± 0.004 Å
• c: 15.02 ± 0.001 Å
• α: 90°
• β: 92.06 ± 0.01°
• γ: 90°
• Cell volume: 1324.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes