Information card for entry 7150978

Structure parameters

• Chemical name: 6-Ethynyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene
• Formula: C16 H20
• Calculated formula: C16 H20
• SMILES: C1(CCC(c2cc(ccc12)C#C)(C)C)(C)C
• Title of publication: Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation
• Authors of publication: Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3497 - 3507
• a: 8.3245 ± 0.0007 Å
• b: 14.6772 ± 0.0012 Å
• c: 10.6166 ± 0.0009 Å
• α: 90°
• β: 102.35 ± 0.01°
• γ: 90°
• Cell volume: 1267.12 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 2
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No