Information card for entry 4502453

Structure parameters

• Chemical name: N-o-vanillylidene-L-histidine; 3-methoxysalicylidene-L-histidine; N-(2-oxy-3-methoxy-benzylidene)-L-histidine
• Formula: C14 H17 N3 O5
• Calculated formula: C14 H17 N3 O5
• Title of publication: N-o-Vanillylidene-l-histidine: Experimental Charge Density Analysis of a Double Zwitterionic Amino Acid Schiff-Base Compound
• Authors of publication: Drašković, Bojana M.; Bogdanović, Goran A.; Neelakantan, M. A.; Chamayou, Anne-Christine; Thalamuthu, S.; Avadhut, Yamini S.; Schmedt auf der Günne, Jörn; Banerjee, Sharmila; Janiak, Christoph
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1665
• a: 8.6115 ± 0.0001 Å
• b: 11.6104 ± 0.0001 Å
• c: 14.7472 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1474.47 ± 0.02 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0116
• Weighted residual factors for all reflections included in the refinement: 0.0126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No