Information card for entry 1502891

Structure parameters

• Common name: phosphafluorene
• Formula: C42 H33 O4 P
• Calculated formula: C42 H33 O4 P
• SMILES: P1(=O)(c2c(c3c4ccccc4OCc3cc2c2ccccc2)c2c1c(cc1c2c2c(OC1)cccc2)c1ccccc1)C.O=C(C)C
• Title of publication: Asymmetric synthesis and photophysical properties of benzopyrano- or naphthopyrano-fused helical phosphafluorenes.
• Authors of publication: Fukawa, Naohiro; Osaka, Takuya; Noguchi, Keiichi; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1324 - 1327
• a: 13.8985 ± 0.0006 Å
• b: 14.4684 ± 0.0006 Å
• c: 17.6975 ± 0.0007 Å
• α: 90°
• β: 114.023 ± 0.002°
• γ: 90°
• Cell volume: 3250.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.442
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No