Information card for entry 1570717

Structure parameters

• Formula: C30 H22 N O2 P
• Calculated formula: C30 H22 N O2 P
• SMILES: P1(=O)(c2cc3c4c(n(c3cc2c2c1cccc2)c1ccccc1)cccc4)c1ccccc1.O
• 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: 36.7954 ± 0.0007 Å
• b: 6.4842 ± 0.00012 Å
• c: 19.5726 ± 0.0004 Å
• α: 90°
• β: 102.487 ± 0.0008°
• γ: 90°
• Cell volume: 4559.34 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No