Information card for entry 8107330

Structure parameters

• Formula: C21 H16 O4
• Calculated formula: C21 H16 O4
• SMILES: C1(=O)/C(=C/c2c(c(ccc2)OC)OC)Oc2c1ccc1c2cccc1
• Title of publication: The crystal structure of (Z)-2-(2,3-dimethoxybenzylidene)naphtho[1,2-b]furan-3(2H)-one, C21H16O4
• Authors of publication: Shin, Soon Young; Ahn, Seunghyun; Koh, Dongsoo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1189 - 1191
• a: 13.531 ± 0.006 Å
• b: 8.39 ± 0.003 Å
• c: 14.288 ± 0.005 Å
• α: 90°
• β: 95.322 ± 0.015°
• γ: 90°
• Cell volume: 1615.1 ± 1.1 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No