Information card for entry 4124935

Structure parameters

• Formula: C47 H36 N2 O Pd S
• Calculated formula: C47 H36 N2 O Pd S
• Title of publication: 2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.
• Authors of publication: Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 15
• Pages of publication: 4992 - 4995
• a: 9.169 ± 0.003 Å
• b: 13.469 ± 0.005 Å
• c: 15.617 ± 0.006 Å
• α: 107.223 ± 0.004°
• β: 100.014 ± 0.005°
• γ: 102.029 ± 0.004°
• Cell volume: 1743.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No