Information card for entry 7220153

Structure parameters

• Formula: C20 H23 B N P
• Calculated formula: C20 H23 B N P
• SMILES: [P](c1ccccc1)(N[C@H](c1ccccc1)C)(c1ccccc1)[BH3]
• Title of publication: Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation
• Authors of publication: Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.8785 ± 0.0002 Å
• b: 18.0839 ± 0.0004 Å
• c: 23.6013 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3789.38 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No