Information card for entry 2001866

Structure parameters

• Formula: C27 H33 N O3
• Calculated formula: C27 H33 N O3
• SMILES: OC(Cc1ccc(OC)cc1)(c1ccccc1)c1ccc(OCCN(CC)CC)cc1
• Title of publication: Structure of 1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethan-1-ol, the non-steroidal antiestrogen MER25
• Authors of publication: Hossain, M. B.; Symersky, J.; Neely, S. C.; van der Helm, D.; Magarian, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 500 - 504
• a: 22.833 ± 0.006 Å
• b: 9.37 ± 0.003 Å
• c: 11.434 ± 0.004 Å
• α: 90°
• β: 110.71 ± 0.08°
• γ: 90°
• Cell volume: 2288.2 ± 1.7 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No