Information card for entry 4030416

Structure parameters

• Formula: C24 H27 O3 P
• Calculated formula: C24 H27 O3 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)[C@@H](OC)[C@@]1(O)[C@H]2C=C[C@@H]3C[C@H]2CC[C@H]13.P(=O)(c1ccccc1)(c1ccccc1)[C@H](OC)[C@]1(O)[C@@H]2C=C[C@H]3C[C@@H]2CC[C@@H]13
• Title of publication: Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.
• Authors of publication: Olbrich, Martin; Mayer, Peter; Trauner, Dirk
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 2042 - 2055
• a: 7.2398 ± 0.0004 Å
• b: 9.5416 ± 0.0004 Å
• c: 14.6831 ± 0.0009 Å
• α: 90.04 ± 0.004°
• β: 81.463 ± 0.005°
• γ: 85.164 ± 0.004°
• Cell volume: 999.4 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No