Information card for entry 4127243

Structure parameters

• Formula: C18 H21 N3 O2
• Calculated formula: C18 H21 N3 O2
• SMILES: O(C(=O)C(=N\Nc1ccc(N(C)C)cc1)/c1ccccc1)CC
• Title of publication: Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.
• Authors of publication: Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 20
• Pages of publication: 8364 - 8371
• a: 7.3582 ± 0.0008 Å
• b: 9.6426 ± 0.001 Å
• c: 23.096 ± 0.002 Å
• α: 90°
• β: 94.383 ± 0.001°
• γ: 90°
• Cell volume: 1633.9 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No