Information card for entry 7042367

Structure parameters

• Formula: C18 H32 P2 Si2
• Calculated formula: C18 H32 P2 Si2
• SMILES: C(C)([Si](C(C)C)(c1ccc(cc1)[Si](C(C)C)(C(C)C)P)P)C
• Title of publication: Synthesis of heteroatomic bridged paracyclophanes.
• Authors of publication: Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4530 - 4541
• a: 7.1303 ± 0.0004 Å
• b: 8.7216 ± 0.0005 Å
• c: 9.2829 ± 0.0006 Å
• α: 82.676 ± 0.002°
• β: 83.138 ± 0.002°
• γ: 72.688 ± 0.002°
• Cell volume: 544.6 ± 0.06 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No