Information card for entry 4069005

Structure parameters

• Formula: C65 H78 O2 Sn
• Calculated formula: C65 H78 O2 Sn
• SMILES: [Sn]1(Oc2c(OC31c1cc(ccc1c1ccc(cc31)C(C)(C)C)C(C)(C)C)c1ccccc1c1ccccc21)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: From a Stannene and Quinones to Various Tin-Containing Heterocycles
• Authors of publication: Ghereg, Dumitru; Ranaivonjatovo, Henri; Saffon, Nathalie; Gornitzka, Heinz; Escudié, Jean
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2294
• a: 22.8146 ± 0.0005 Å
• b: 10.706 ± 0.0002 Å
• c: 23.4538 ± 0.0005 Å
• α: 90°
• β: 101.133 ± 0.001°
• γ: 90°
• Cell volume: 5620.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No