Crystallography Open Database

Information card for entry 4020374

4020373 << 4020374 >> 4020375

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Structure parameters

Formula	C18 H17 N3 O3
Calculated formula	C18 H17 N3 O3
SMILES	O=C(Nc1ccccc1)[C@@H]1ON=C(C1)c1ccc(NC(=O)C)cc1
Title of publication	Exploring the Scope of the 29G12 Antibody Catalyzed 1,3-Dipolar Cycloaddition Reaction
Authors of publication	Jonathan D. Toker; Martin R. Tremblay; Jari Yli-Kauhaluoma; Anita D. Wentworth; Bin Zhou; Paul Wentworth, Jr.; Kim D. Janda
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	7810 - 7815
a	5.6269 ± 0.0006 Å
b	36.295 ± 0.004 Å
c	7.6556 ± 0.0009 Å
α	90°
β	90.712 ± 0.004°
γ	90°
Cell volume	1563.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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