Information card for entry 8105910

Structure parameters

• Formula: C14 H10 O2
• Calculated formula: C14 H10 O2
• Title of publication: Crystal structure of 2-(prop-2-yn-1-yloxy)-1-naphthaldehyde, C14H10O2
• Authors of publication: Aljohani, Ghadah; Lentz, Dieter; Said, Musa A.; Alraqa, Shaya Y.; Ali, Adeeb A.; Basar, Norazah
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 977 - 978
• a: 7.498 ± 0.003 Å
• b: 7.973 ± 0.003 Å
• c: 9.66 ± 0.004 Å
• α: 67.211 ± 0.013°
• β: 84.489 ± 0.014°
• γ: 72.224 ± 0.014°
• Cell volume: 506.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No