Information card for entry 4030976

Structure parameters

• Formula: C25 H19 O2 P
• Calculated formula: C25 H19 O2 P
• SMILES: [P@@]1(=O)(c2cc3c(cc2C=C1c1ccc(OC)cc1)cccc3)c1ccccc1
• Title of publication: Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.
• Authors of publication: Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 5944 - 5950
• a: 12.2059 ± 0.0005 Å
• b: 6.2367 ± 0.0002 Å
• c: 13.0601 ± 0.0005 Å
• α: 90°
• β: 108.288 ± 0.001°
• γ: 90°
• Cell volume: 943.98 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0357
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No