Information card for entry 1571068

Structure parameters

• Chemical name: Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate
• Formula: C14 H12 O4
• Calculated formula: C14 H12 O4
• Title of publication: Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate
• Authors of publication: Moodley, Cresten; Muller, Alfred; Belay, Yonas H.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 2
• Pages of publication: x240163
• a: 13.7387 ± 0.0012 Å
• b: 20.547 ± 0.002 Å
• c: 8.4283 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2379.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No