Information card for entry 4036026

Structure parameters

• Formula: C43 H32 N2 O2
• Calculated formula: C43 H32 N2 O2
• SMILES: c12cccc(c1c(c[nH]2)C1C=C(c2ccccc2)c2c1c(c1ccccc1)c1c(c2c2ccccc2)c2c(cccc2[nH]1)OC)OC
• 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: 7.0575 ± 0.0005 Å
• b: 10.2773 ± 0.0008 Å
• c: 22.134 ± 0.002 Å
• α: 88.791 ± 0.003°
• β: 88.61 ± 0.003°
• γ: 81.318 ± 0.002°
• Cell volume: 1586.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No