Information card for entry 4132960

Structure parameters

• Formula: C22 H24 N2 O4
• Calculated formula: C22 H24 N2 O4
• SMILES: O1CCCCCCCOC(=O)C(=NNc2c(C1=O)cccc2)c1ccccc1
• Title of publication: Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.
• Authors of publication: Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 37
• Pages of publication: 11829 - 11835
• a: 9.4897 ± 0.0015 Å
• b: 9.7609 ± 0.0015 Å
• c: 11.1738 ± 0.0017 Å
• α: 104.546 ± 0.002°
• β: 101.764 ± 0.002°
• γ: 96.889 ± 0.002°
• Cell volume: 964.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No