Information card for entry 1559710

Structure parameters

• Chemical name: (2'Z,3'E)-3'-(Hydroxyimino)-5-methoxy-[2',3-biindolinylidene]-2-one
• Formula: C18 H16 N3 O3.5
• Calculated formula: C18 H16 N3 O3.5
• Title of publication: Crystal Structure of 5-Methoxyindirubin 3′-Oxime
• Authors of publication: NAKAMURA, Niina; ICHIMARU, Yoshimi; KATO, Koichi; SANO, Makoto; KUROSAKI, Hiromasa; HAYASHI, Kazuhiko; MIYAIRI, Shinichi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2020
• Journal volume: 36
• Journal issue: 0
• Pages of publication: 47 - 48
• a: 16.0352 ± 0.0004 Å
• b: 5.5514 ± 0.0001 Å
• c: 17.2061 ± 0.0004 Å
• α: 90°
• β: 100.324 ± 0.003°
• γ: 90°
• Cell volume: 1506.85 ± 0.06 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0616
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No