Information card for entry 7219508

Structure parameters

• Formula: C27 H24 N4
• Calculated formula: C27 H24 N4
• SMILES: N1(C(=C\C#N)\C2=C(C(c3ccccc3C#N)C#N)c3c(CC2)cccc3)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: 8.972 ± 0.003 Å
• b: 9.172 ± 0.002 Å
• c: 14.034 ± 0.002 Å
• α: 90.632 ± 0.016°
• β: 105.367 ± 0.018°
• γ: 104.96 ± 0.02°
• Cell volume: 1071.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2752
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No