Information card for entry 7062485

Structure parameters

• Formula: C33 H35 N3 O2
• Calculated formula: C33 H35 N3 O2
• SMILES: O(c1c(OC)cc(cc1)CCc1nn(c2nc3c(cc2)cccc3)c(CCCCC)c1)Cc1ccccc1
• Title of publication: 6-Gingerol-derived semisynthetic analogs mitigate oxidative stress, and reverse acrylamide induced neurotoxicity in zebrafish
• Authors of publication: Manjunathan, Tamilvelan; Guru, Ajay; Haridevamuthu, B.; Dandela, Rambabu; Arokiaraj, Jesu; Gopinath, Pushparathinam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 10488 - 10492
• a: 5.65 ± 0.003 Å
• b: 12.577 ± 0.006 Å
• c: 20.32 ± 0.01 Å
• α: 87.21 ± 0.01°
• β: 83.78 ± 0.01°
• γ: 89.06 ± 0.01°
• Cell volume: 1433.6 ± 1.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.2169
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No