Information card for entry 7714266

Structure parameters

• Formula: C23 H27 B F2 N2
• Calculated formula: C23 H27 B F2 N2
• SMILES: F[B]1(F)[N](=C(N1C(C)(C)C)c1c2c(c3c(c1)cccc3)cccc2)C(C)(C)C
• Title of publication: Blue Emissive Amidinate Based Tetra coordinate Boron Compounds
• Authors of publication: Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.9281 ± 0.0005 Å
• b: 12.2645 ± 0.0004 Å
• c: 13.2506 ± 0.0004 Å
• α: 90°
• β: 95.12 ± 0.004°
• γ: 90°
• Cell volume: 2092.59 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No