Information card for entry 1571178

Structure parameters

• Formula: C56 H76 B2 N2 O18
• Calculated formula: C56 H76 B2 N2 O18
• Title of publication: From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.
• Authors of publication: Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5674 - 5680
• a: 7.7013 ± 0.0003 Å
• b: 13.3036 ± 0.0006 Å
• c: 14.8499 ± 0.0006 Å
• α: 68.809 ± 0.002°
• β: 86.831 ± 0.002°
• γ: 82.254 ± 0.002°
• Cell volume: 1405.59 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No