Information card for entry 4029673

Structure parameters

• Formula: C18 H16 O S
• Calculated formula: C18 H16 O S
• SMILES: S1c2ccccc2C=C(C1)/C=C/c1ccc(OC)cc1
• Title of publication: Substituted 3-E-Styryl-2H-chromenes and 3-E-Styryl-2H-thiochromenes: Synthesis, Photophysical Studies, Anticancer Activity, and Exploration to Tricyclic Benzopyran Skeleton.
• Authors of publication: Roy, Rimi; Rakshit, Soumyadipta; Bhowmik, Tanmoy; Khan, Sagar; Ghatak, Avishek; Bhar, Sanjay
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 14
• Pages of publication: 6603 - 6614
• a: 17.9928 ± 0.0015 Å
• b: 7.7886 ± 0.0007 Å
• c: 20.839 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2920.4 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No