Crystallography Open Database





Information card for 2013218

2013217 << 2013218 >> 2013219

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Coordinates

2013218.cif

Structure factors

2013218.hkl

Structure parameters

Common name estradiol
Formula - C18.67 H27.33 O3 -
Calculated formula - C18.6667 H27.3333 O3 -
Title of publication A new structure of estra-1,3,5(10)-triene-3,17β-diol solvate: estradiol-methanol-water (3/2/1)
Authors of publication Parrish, Damon A.; Pinkerton, A. Alan
Journal of publication Acta Crystallographica, Section C
Year of publication 2003
Journal volume 59
Pages of publication o80 - o82
a 11.7152 ± 0.0004 Å
b 19.627 ± 0.0006 Å
c 12.131 ± 0.0004 Å
α 90°
β 117.978 ± 0.001°
γ 90°
Cell volume 2463.34 ± 0.14 Å3
Cell temperature 298 ± 1 K
Ambient diffraction temperature 298 ± 2 K
Number of distinct elements 3
Hermann-Mauguin symmetry space group P 1 21 1
Hall symmetry space group P 2yb
Has coordinates Yes
Has disorder No
Has Fobs Yes

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