Information card for entry 1551527

Structure parameters

• Formula: C19 H26 Cl2 N2 O8
• Calculated formula: C19 H20 Cl2 N2 O8
• Title of publication: Synthesis and Crystal Structure of 1,3-Bis(5-chloro-3-methoxysalicylideneamino)-2-propanol Trihydrate
• Authors of publication: MIKURIYA, Masahiro; KOYAMA, Yoshiki; MITSUHASHI, Ryoji
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 33
• a: 18.098 ± 0.003 Å
• b: 4.3275 ± 0.0008 Å
• c: 14.572 ± 0.003 Å
• α: 90°
• β: 104.283 ± 0.003°
• γ: 90°
• Cell volume: 1106 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No