Information card for entry 7219973

Structure parameters

• Chemical name: 4-methoxy-1-naphtaldehyde
• Formula: C12 H10 O2.4
• Calculated formula: C12 H10 O2.4
• Title of publication: 4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation.
• Authors of publication: Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 10238 - 10249
• a: 15.074 ± 0.002 Å
• b: 3.9014 ± 0.0004 Å
• c: 17.001 ± 0.003 Å
• α: 90°
• β: 110.532 ± 0.011°
• γ: 90°
• Cell volume: 936.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.1244
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No