Information card for entry 8104952

Structure parameters

• Formula: C26 H22 N2 O2
• Calculated formula: C26 H22 N2 O2
• Title of publication: The crystal structure of 2,2′-((1E,1′E)-(naphthalene-2,3 diylbis(azanylylidene)) bis(methanylylidene))bis(4-methylphenol), C26H22N2O2
• Authors of publication: Ndlangamandla, Nqobile; Clayton, Hadley S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 27 - 29
• a: 6.2362 ± 0.0002 Å
• b: 16.3148 ± 0.0006 Å
• c: 20.0521 ± 0.0007 Å
• α: 90°
• β: 94.308 ± 0.001°
• γ: 90°
• Cell volume: 2034.38 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No