Information card for entry 4504366

Structure parameters

• Formula: C16 H26 Cl4 N4 O3
• Calculated formula: C16 H26 Cl4 N4 O3
• SMILES: c1n(ccn1)C([C@@H](O)O[C@@H](C(C)(C)n1cncc1)O)(C)C.C(Cl)Cl.C(Cl)Cl.c1n(ccn1)C([C@H](O)O[C@H](C(C)(C)n1cncc1)O)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Supramolecular Stabilization of Hemiacetals ofN-Alkyl(Benz)Imidazole Aldehydes
• Authors of publication: Solchinger, Alexander; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2380
• a: 17.8214 ± 0.0007 Å
• b: 7.2722 ± 0.0004 Å
• c: 17.3881 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2253.51 ± 0.19 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No