Crystallography Open Database

Information card for entry 1100280

Preview

Coordinates	1100280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 N O5
Calculated formula	C13 H9 N O5
SMILES	C(=O)/C(=C/N1C(=O)c2ccccc2C1=O)C(=O)OC
Title of publication	Hetero-diels-alder reaction of enaminecarbaldehydes an entry to branched aminosugars
Authors of publication	Tietze, Lutz F.; Voß, Edgar; Harms, Klaus; Sheldrick, George M.
Journal of publication	Tetrahedron Letters
Year of publication	1985
Journal volume	26
Journal issue	43
Pages of publication	5273 - 5276
a	7.578 ± 0.001 Å
b	7.829 ± 0.001 Å
c	10.151 ± 0.001 Å
α	77.18 ± 0.01°
β	87.42 ± 0.01°
γ	83.75 ± 0.01°
Cell volume	583.6 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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