Information card for entry 7135519

Structure parameters

• Formula: C29 H21 O P
• Calculated formula: C29 H21 O P
• Title of publication: Expect the unexpected - Li⁺ migration governing the substitution of 7<i>H</i>-benzo[<i>de</i>]anthracene with main-group fragments.
• Authors of publication: Deka, Rajesh; Bhowmick, Toma; Orthaber, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1900 - 1904
• a: 18.8945 ± 0.0003 Å
• b: 5.60435 ± 0.00009 Å
• c: 19.3173 ± 0.0004 Å
• α: 90°
• β: 94.74 ± 0.0018°
• γ: 90°
• Cell volume: 2038.54 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0474
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No