Information card for entry 1558992

Structure parameters

• Formula: C22 H32 B N O4
• Calculated formula: C22 H32 B N O4
• SMILES: O1c2cc(ccc2O[B]21Oc1c(O2)cc(cc1)C(C)(C)C)C(C)(C)C.[NH2+](C)C
• Title of publication: Synthesis and Crystal Structure Determination of a Dimeric Complex of Dimethylammoniumbis(<i>p-tert</i>-butylcatecholato) borate
• Authors of publication: TOMBUL, Mustafa; BIYIKOGLU, Mutluhan; BULUT, Adnan; GÜVEN, Kutalmis; ISILAR, Özer
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2020
• Journal volume: 36
• Journal issue: 0
• Pages of publication: 27 - 29
• a: 11.929 ± 0.007 Å
• b: 16.833 ± 0.006 Å
• c: 11.259 ± 0.011 Å
• α: 93.75 ± 0.05°
• β: 91 ± 0.07°
• γ: 100.37 ± 0.04°
• Cell volume: 2218 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.3117
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No