Information card for entry 8000460

Structure parameters

• Formula: C18 H22 Cl N3 O2
• Calculated formula: C18 H22 Cl N3 O2
• Title of publication: Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence
• Authors of publication: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2020
• Pages of publication: 9178 - 9183
• a: 15.7804 ± 0.0008 Å
• b: 6.3813 ± 0.0003 Å
• c: 18.8376 ± 0.001 Å
• α: 90°
• β: 107.348 ± 0.002°
• γ: 90°
• Cell volume: 1810.65 ± 0.16 ų
• Cell temperature: 297.8 K
• Ambient diffraction temperature: 297.8 K
• Number of distinct elements: 5
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No