Information card for entry 8105946

Structure parameters

• Formula: C34 H37 N5 O3
• Calculated formula: C34 H37 N5 O3
• SMILES: O=C1N(/N=C/c2nc(C)ccc2)C2(c3c1cccc3)c1cc(c(NCC)cc1Oc1cc(NCC)c(cc21)C)C.OC
• Title of publication: Crystal structure of (E)-2-(3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl)-N′-((6-methylpyridin-2-yl)methylene)benzohydrazide – methanol (1/1), C34H37N5O3
• Authors of publication: Yuan, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1091 - 1093
• a: 8.9446 ± 0.0003 Å
• b: 13.4223 ± 0.0004 Å
• c: 13.4559 ± 0.0004 Å
• α: 83.371 ± 0.003°
• β: 71.724 ± 0.003°
• γ: 75.383 ± 0.003°
• Cell volume: 1483.18 ± 0.09 ų
• Cell temperature: 105.6 ± 0.5 K
• Ambient diffraction temperature: 105.6 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No