Crystallography Open Database

Information card for entry 2000690

2000689 << 2000690 >> 2000691

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Coordinates	2000690.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H15 N3 O4
Calculated formula	C18 H15 N3 O4
SMILES	O=C1N2N(C(=O)N1c1ccccc1)[C@H]1C=C[C@@H]2[C@]23[C@]1(COC2)[C@@H]1[C@H]3O1
Title of publication	Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
Authors of publication	Agmon, I.; Ashkenazi, P.; Kaftory, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1479 - 1484
a	23.866 ± 0.011 Å
b	9.571 ± 0.005 Å
c	6.686 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1527.2 ± 1.3 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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