Information card for entry 7246237

Structure parameters

• Chemical name: (2E,5E)-2-benzylidene-5-(2,3-dimethoxybenzylidene)cyclopentanone
• Formula: C21 H20 O3
• Calculated formula: C21 H20 O3
• SMILES: O(c1c(cccc1OC)/C=C\1C(=O)C(=C\c2ccccc2)\CC1)C
• Title of publication: Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties
• Authors of publication: Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 4476 - 4494
• a: 16.154 ± 0.002 Å
• b: 6.9813 ± 0.001 Å
• c: 28.997 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3270.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No