Information card for entry 8107195

Structure parameters

• Formula: C24 H23 N O3
• Calculated formula: C24 H23 N O3
• SMILES: O=C1/C(C(Oc2c1cccc2)c1c2c(ccc1O)cccc2)=C\NC(C)(C)C
• Title of publication: Crystal structure of (Z)-3-((tert-butylamino) methylene)-2-(2-hydroxynaphthalen-1-yl) chroman-4-one, C24H23NO3
• Authors of publication: Liu, Tianhao; Lv, Menglan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 707 - 709
• a: 8.249 ± 0.0011 Å
• b: 15.886 ± 0.002 Å
• c: 16.218 ± 0.002 Å
• α: 90°
• β: 99.465 ± 0.002°
• γ: 90°
• Cell volume: 2096.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No