Information card for entry 8107557

Structure parameters

• Formula: C31 H29 B Cl2 N2 O4 S
• Calculated formula: C31 H29 B Cl2 N2 O4 S
• SMILES: S(=O)(=O)(N1c2c3[n](cccc3ccc2)[B]1(c1cc(OC)ccc1)c1cc(OC)ccc1)c1ccc(cc1)C.ClCCl
• Title of publication: The crystal structure of 2,2-bis(3-methoxyphenyl)-1-tosyl-1,2-dihydro- 2λ4,3λ4 -[1,3,2]diazaborolo[4,5,1-ij]quinoline - dichloromethane (1/1)
• Authors of publication: Ding, Siyi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 767 - 769
• a: 8.7365 ± 0.0003 Å
• b: 11.9533 ± 0.0004 Å
• c: 14.3566 ± 0.0005 Å
• α: 85.728 ± 0.001°
• β: 74.845 ± 0.001°
• γ: 85.199 ± 0.001°
• Cell volume: 1439.88 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No