Information card for entry 7239476

Structure parameters

• Formula: C35 H32 N2 O2 S
• Calculated formula: C35 H32 N2 O2 S
• Title of publication: Synthesis of (E)-3-styryl-2,5-dihydro-1H-pyrrole derivatives via Pd-catalyzed addition of indoles to hydroxy 1,6-enynes
• Authors of publication: Zhong, Mei-Jin; Zhu, Hai-Tao; Gao, Pin; Qiu, Yi-Feng; Liang, Yong-Min
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 8914
• a: 10.1191 ± 0.0006 Å
• b: 9.9999 ± 0.0007 Å
• c: 30.776 ± 0.0014 Å
• α: 90°
• β: 96.077 ± 0.005°
• γ: 90°
• Cell volume: 3096.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1936
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.3641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No