Crystallography Open Database

Information card for entry 4000619

Preview

Coordinates	4000619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O4
Calculated formula	C15 H13 N O4
SMILES	c1c(c(ccc1O)/C=N/c1ccc(cc1)C(=O)OC)O
Journal of publication	Chemistry of Materials
Year of publication	2005
a	14.739 ± 0.0017 Å
b	7.0271 ± 0.0005 Å
c	6.0959 ± 0.0007 Å
α	90°
β	99.209 ± 0.014°
γ	90°
Cell volume	623.23 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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