Information card for entry 2003844

Structure parameters

• Formula: C34 H33 Br O4
• Calculated formula: C34 H33 Br O4
• SMILES: COC(=O)c1ccc2c(c1)ccc(c2)[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)OC(=O)c1ccc(cc1)Br
• Title of publication: Methyl 6-[(4-Bromobenzoyloxy)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)methyl]-2-naphthalenecarboxylate
• Authors of publication: Gao, Q.; Yu, K.-L.; Mansuri, M. M.; Kerns, E. H.; Starrett, Jnr, J. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1672 - 1675
• a: 5.916 ± 0.001 Å
• b: 13.808 ± 0.002 Å
• c: 35.841 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2927.8 ± 0.8 ų
• Cell temperature: 290 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.643
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No