Information card for entry 1556639

Structure parameters

• Chemical name: 5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: [nH]1c(C=O)ccc1C(c1[nH]c(C=O)cc1)(c1ccccc1)C
• Title of publication: 5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)
• Authors of publication: Loke, Shiva Krishna; Pagadala, Eswar; Kottalanka, Ravi K.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191660
• a: 7.0679 ± 0.0002 Å
• b: 9.6856 ± 0.0004 Å
• c: 12.151 ± 0.0005 Å
• α: 101.56 ± 0.003°
• β: 93.302 ± 0.003°
• γ: 111.27 ± 0.004°
• Cell volume: 751.66 ± 0.05 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: 0.0642
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes