Crystallography Open Database

Information card for entry 1100284

Preview

Coordinates	1100284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N2 O4
Calculated formula	C16 H16 N2 O4
SMILES	C1(=O)N(C(=O)N(C2OC[C@@H]3COc4ccccc4[C@@H]3C1=2)C)C
Title of publication	Stereochemistry of a hetero-Diels-Alder product
Authors of publication	Harms, K.; Sheldrick, G. M.; Tietze, L.-F.
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1986
Journal volume	42
Journal issue	11
Pages of publication	1664 - 1665
a	7.779 ± 0.006 Å
b	9.332 ± 0.003 Å
c	19.627 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1424.8 Å³
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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