Information card for entry 2104491

Structure parameters

• Chemical name: (1,3-bis(4-n-Butoxy)phenyl)propane-1,3-dionato-O,O'-difluoro-boron
• Formula: C23 H27 B F2 O4
• Calculated formula: C23 H27 B F2 O4
• SMILES: [B]1([O]=C(C=C(c2ccc(cc2)OCCCC)O1)c1ccc(cc1)OCCCC)(F)F
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 25.892 ± 0.002 Å
• b: 7.1634 ± 0.0007 Å
• c: 13.0672 ± 0.0013 Å
• α: 90°
• β: 110.62 ± 0.002°
• γ: 90°
• Cell volume: 2268.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No