Information card for entry 7118382

Structure parameters

• Formula: C23 H26 N O3 P
• Calculated formula: C23 H26 N O3 P
• SMILES: P(=O)(C(=O)c1c(cc(cc1C)C)C)(C(=O)c1c(cc(cc1C)C)C)CCC#N
• Title of publication: Synthesis of new bis(acyl)phosphane oxide photoinitiators for the surface functionalization of cellulose nanocrystals.
• Authors of publication: Wang, Jieping; Siqueira, Gilberto; Müller, Georgina; Rentsch, Daniel; Huch, Anja; Tingaut, Philippe; Levalois-Grützmacher, Joëlle; Grützmacher, Hansjörg
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2823 - 2826
• a: 8.6783 ± 0.0002 Å
• b: 11.3201 ± 0.0002 Å
• c: 12.0032 ± 0.0002 Å
• α: 111.032 ± 0.001°
• β: 94.279 ± 0.001°
• γ: 105.86 ± 0.001°
• Cell volume: 1038.96 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No