Information card for entry 1511978

Structure parameters

• Formula: C11 H15 N O2
• Calculated formula: C11 H15 N O2
• SMILES: O=Cc1c(O)cc(N(CC)CC)cc1
• Title of publication: Excited State Intramolecular Charge Transfer Suppressed Proton Transfer Process in 4-(Diethylamino)-2-hydroxybenzaldehyde.
• Authors of publication: Jana, Sankar; Dalapati, Sasanka; Guchhait, Nikhil
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 21
• Pages of publication: 4367 - 4376
• a: 7.1242 ± 0.0003 Å
• b: 8.2157 ± 0.0004 Å
• c: 9.3814 ± 0.0004 Å
• α: 94.357 ± 0.002°
• β: 107.054 ± 0.002°
• γ: 96.473 ± 0.002°
• Cell volume: 518.16 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No