Information card for entry 7150976

Structure parameters

• Chemical name: 6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-naphthalene
• Formula: C14 H19 Br
• Calculated formula: C14 H19 Br
• SMILES: Brc1cc2C(CCC(c2cc1)(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: 7.76 ± 0.001 Å
• b: 10.508 ± 0.001 Å
• c: 15.461 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1260.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No