Information card for entry 7219507

Structure parameters

• Common name: indene
• Chemical name: 1-(2-Cyano-phenyl)-3-piperidine-1-yl-4,5-dihydro-1H-benz[e]indene-1,2-dicarbonitrile
• Formula: C27 H22 N4
• Calculated formula: C27 H22 N4
• SMILES: N1(C2=C(C(c3ccccc3C#N)(C3=C2CCc2c3cccc2)C#N)C#N)CCCCC1
• Title of publication: Precursor directed regioselective synthesis of partially reduced benzo[e]indene through oxidative cyclization and benzo[h]quinolines
• Authors of publication: Pratap, Ramendra; Singh, Surjeet; Panwar, Rahul; Yadav, Pratik; Althagafi, Ismail; Sahu, Satya Narayan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.144 ± 0.0005 Å
• b: 10.7523 ± 0.0006 Å
• c: 12.0332 ± 0.0007 Å
• α: 66.569 ± 0.005°
• β: 88.615 ± 0.005°
• γ: 88.295 ± 0.005°
• Cell volume: 1084.96 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No