Information card for entry 1504608

Structure parameters

• Formula: C16 H24 B2 P2
• Calculated formula: C16 H24 B2 P2
• SMILES: [P]1(c2ccccc2)(CC[P](c2ccccc2)(CC1)[BH3])[BH3]
• Title of publication: Stereospecific construction of a trans-1,4-diphosphacyclohexane skeleton.
• Authors of publication: Morisaki, Yasuhiro; Imoto, Hiroaki; Ouchi, Yuko; Nagata, Yuuya; Chujo, Yoshiki
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 1489 - 1492
• a: 6.761 ± 0.003 Å
• b: 7.616 ± 0.004 Å
• c: 9.075 ± 0.006 Å
• α: 99.12 ± 0.03°
• β: 109.96 ± 0.03°
• γ: 100.07 ± 0.02°
• Cell volume: 420.3 ± 0.4 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No