Information card for entry 8107619

Structure parameters

• Formula: C30 H31 N O8
• Calculated formula: C30 H31 N O8
• SMILES: O(c1cc2OC(=C\c3ccc(OCCCCOc4ccc(NC(=O)C)cc4)cc3)/C(=O)c2c(OC)c1OC)C
• Title of publication: Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
• Authors of publication: Xu, Lian-Hua; Shi, Ju-Mei; Wang, Hua-Bin; Zhou, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 987 - 989
• a: 5.2172 ± 0.0001 Å
• b: 9.2878 ± 0.0002 Å
• c: 27.2825 ± 0.0005 Å
• α: 82.199 ± 0.002°
• β: 88.113 ± 0.002°
• γ: 81.617 ± 0.002°
• Cell volume: 1295.66 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No