Information card for entry 7134581

Structure parameters

• Formula: C35 H25 O P
• Calculated formula: C35 H25 O P
• Title of publication: Unexpected cyclization of β-(hydroxymethyl)phosphole into 1-phospha-1,6a-dihydrophosphapentalene: a fused 1,3-butadiene-based luminophore
• Authors of publication: Higashino, Tomohiro; Minobe, Riku; Machino, Tomoya; Imahori, Hiroshi
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9420 - 9423
• a: 8.798 ± 0.002 Å
• b: 15.004 ± 0.004 Å
• c: 19.105 ± 0.005 Å
• α: 90°
• β: 94.067 ± 0.004°
• γ: 90°
• Cell volume: 2515.6 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No