Information card for entry 7045482

Structure parameters

• Formula: C36 H20 B2 F12 N4 O
• Calculated formula: C36 H20 B2 F12 N4 O
• Title of publication: Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.
• Authors of publication: Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3388 - 3399
• a: 16.1693 ± 0.001 Å
• b: 17.8717 ± 0.0011 Å
• c: 18.1564 ± 0.0011 Å
• α: 83.225 ± 0.004°
• β: 79.773 ± 0.004°
• γ: 67.472 ± 0.004°
• Cell volume: 4762.1 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3002
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.2546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No