Information card for entry 4131177

Structure parameters

• Formula: C21 H22 N4 O
• Calculated formula: C21 H22 N4 O
• SMILES: O=C(C(=N\Nc1cccc2cccnc12)\c1ncccc1C)CCCC
• Title of publication: Hydrazone Switch-Based Negative Feedback Loop.
• Authors of publication: Pramanik, Susnata; Aprahamian, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15142 - 15145
• a: 13.303 ± 0.0019 Å
• b: 10.8081 ± 0.0015 Å
• c: 13.6576 ± 0.0019 Å
• α: 90°
• β: 112.965 ± 0.0016°
• γ: 90°
• Cell volume: 1808.1 ± 0.4 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: 0.0714
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No