Information card for entry 1570718

Structure parameters

• Formula: C26 H18 N O P
• Calculated formula: C26 H18 N O P
• SMILES: P1(=O)(c2ccccc2c2n(c3c(c12)cccc3)c1ccccc1)c1ccccc1
• Title of publication: The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings
• Authors of publication: Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji
• Journal of publication: Molecules
• Year of publication: 2023
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 38
• a: 9.0262 ± 0.0002 Å
• b: 10.954 ± 0.0002 Å
• c: 20.2813 ± 0.0004 Å
• α: 90°
• β: 100.093 ± 0.001°
• γ: 90°
• Cell volume: 1974.24 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No