Information card for entry 1543091

Structure parameters

• Chemical name: 5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile
• Formula: C30 H19 N3 O
• Calculated formula: C30 H19 N3 O
• SMILES: [nH]1c(c2c3ccccc3[nH]c2)c(c(c2cc3c(cc2)cccc3)c1C(=O)c1ccccc1)C#N
• Title of publication: 5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile
• Authors of publication: Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160526
• a: 10.2688 ± 0.0004 Å
• b: 10.5322 ± 0.0004 Å
• c: 11.2934 ± 0.0004 Å
• α: 111.72 ± 0.002°
• β: 93.883 ± 0.002°
• γ: 91.653 ± 0.003°
• Cell volume: 1130.18 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes