Information card for entry 7239432

Structure parameters

• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• Title of publication: New synthesis of unsymmetrically-substituted 2,5-diarylpyrroles from homopropargyl sulfonamides
• Authors of publication: Van Rossom, Wim; Matsushita, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 4897
• a: 5.6181 ± 0.0004 Å
• b: 21.232 ± 0.0019 Å
• c: 10.8628 ± 0.0009 Å
• α: 90°
• β: 98.103 ± 0.002°
• γ: 90°
• Cell volume: 1282.82 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No