Crystallography Open Database

Information card for entry 4020894

4020893 << 4020894 >> 4020895

Preview

Coordinates	4020894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H47 N2 O7 P S
Calculated formula	C36 H47 N2 O7 P S
SMILES	S123(P(c4c(O1)c(cc(c4)C)C(C)(C)C)c1cc(cc(c1O2)C(C)(C)C)C)(OC(=NN3C(=O)OC(C)C)OC(C)C)Oc1ccccc1
Title of publication	Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
Authors of publication	N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	1880 - 1889
a	20.7843 ± 0.0012 Å
b	10.6218 ± 0.0006 Å
c	16.7361 ± 0.001 Å
α	90°
β	99.05 ± 0.001°
γ	90°
Cell volume	3648.8 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4020894.html