Information card for entry 8105435

Structure parameters

• Formula: C20 H18 N2 O6
• Calculated formula: C20 H18 N2 O6
• Title of publication: Crystal structure of 6-methoxy-3-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one-methanol (1/1), C20H18N2O6
• Authors of publication: Shin, Soon Young; Yoo, Miri; Koh, Dongsoo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1253 - 1255
• a: 7.9074 ± 0.0003 Å
• b: 20.4341 ± 0.0007 Å
• c: 11.0406 ± 0.0004 Å
• α: 90°
• β: 90.6004 ± 0.0016°
• γ: 90°
• Cell volume: 1783.85 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No