Crystallography Open Database





Information card for 2013791

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Coordinates

2013791.cif

Structure factors

2013791.hkl

Structure parameters

Formula - C12 H10 O2 -
Calculated formula - C12 H10 O2 -
Title of publication 1,4-Diethynyl-2,5-dimethoxybenzene (ca 150 K)
Authors of publication Bruce, Michael I; Head, Nicholas J.; Skelton, Brian W.; White, Allan H.
Journal of publication Acta Crystallographica, Section C
Year of publication 2004
Journal volume 60
Pages of publication o60 - o61
a 9.111 ± 0.001 Å
b 5.9921 ± 0.0007 Å
c 9.408 ± 0.001 Å
α 90°
β 106.71 ± 0.002°
γ 90°
Cell volume 491.93 ± 0.09 Å3
Cell temperature 150 ± 2 K
Ambient diffraction temperature 150 ± 2 K
Number of distinct elements 3
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Has coordinates Yes
Has disorder No
Has Fobs Yes

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