Information card for entry 1542420

Structure parameters

• Common name: 3-(4-(diphenylmethylene)cyclopent-2-en-1-yl)-2-phenyl-1H-indole
• Formula: C32 H25 N
• Calculated formula: C32 H25 N
• SMILES: c12ccccc1c(c(c1ccccc1)[nH]2)C1C=CC(=C(c2ccccc2)c2ccccc2)C1
• Title of publication: Lewis Acid Catalyzed Regioselective Hydroheteroarylation of Pentafulvenes.
• Authors of publication: Chand, S. Sarath; Gopalan, Greeshma; Santhini, P. V.; Preethanuj, P.; John, Jubi; Harakat, Dominique; Jaroschik, Florian; Radhakrishnan, K. V.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 964
• a: 9.465 ± 0.005 Å
• b: 9.827 ± 0.005 Å
• c: 14.255 ± 0.005 Å
• α: 98.362 ± 0.005°
• β: 100.338 ± 0.005°
• γ: 113.651 ± 0.005°
• Cell volume: 1159.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No