Information card for entry 1508653

Structure parameters

• Formula: C24 H37 N O3 S2
• Calculated formula: C24 H37 N O3 S2
• SMILES: S(C(=S)O[C@H]1[C@H]([C@H](C#N)[C@@H]2[C@@H]([C@]3([C@H]([C@@H]2OCOC)[C@@H](C)C[C@H](C3)C)C)[C@@H]1C)C=C)C.S(C(=S)O[C@@H]1[C@@H]([C@@H](C#N)[C@H]2[C@H]([C@@]3([C@@H]([C@H]2OCOC)[C@H](C)C[C@@H](C3)C)C)[C@H]1C)C=C)C
• Title of publication: Synthetic study of pyrrocidines: first entry to the decahydrofluorene core of pyrrocidines.
• Authors of publication: Tanaka, Ryo; Ohishi, Kentaro; Takanashi, Noriyuki; Nagano, Tomohiko; Suizu, Hiroshi; Suzuki, Takahiro; Kobayashi, Susumu
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4886 - 4889
• a: 10.0065 ± 0.0008 Å
• b: 11.098 ± 0.0009 Å
• c: 12.8083 ± 0.001 Å
• α: 72.456 ± 0.001°
• β: 86.613 ± 0.001°
• γ: 63.391 ± 0.001°
• Cell volume: 1207.76 ± 0.17 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No