Information card for entry 4036024

Structure parameters

• Formula: C34 H30 O4
• Calculated formula: C34 H30 O4
• SMILES: [C@H]1([C@@H](c2ccccc2)C(=C(c2ccccc2)[C@@H]1c1c(cc(cc1OC)OC)OC)C#Cc1ccccc1)O.[C@@H]1([C@H](c2ccccc2)C(=C(c2ccccc2)[C@H]1c1c(cc(cc1OC)OC)OC)C#Cc1ccccc1)O
• Title of publication: Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.
• Authors of publication: Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3036 - 3044
• a: 10.044 ± 0.003 Å
• b: 12.223 ± 0.003 Å
• c: 12.45 ± 0.003 Å
• α: 81.343 ± 0.007°
• β: 71.583 ± 0.007°
• γ: 66.01 ± 0.007°
• Cell volume: 1324.5 ± 0.6 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No