Crystallography Open Database

Information card for entry 4020402

4020401 << 4020402 >> 4020403

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Structure parameters

Formula	C12 H12 N2 O4
Calculated formula	C12 H12 N2 O4
SMILES	O=C1N(C=CC(=O)N1)c1cc(cc(c1)CO)CO
Title of publication	Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone
Authors of publication	Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	7925 - 7935
a	4.354 ± 0.004 Å
b	22.74 ± 0.02 Å
c	12.12 ± 0.01 Å
α	90°
β	105.022 ± 0.008°
γ	90°
Cell volume	1159 ± 1.8 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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