Crystallography Open Database

Information card for entry 5000070

Preview

Coordinates	5000070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N O4
Calculated formula	C17 H21 N O4
Title of publication	The crystal structure of free base cocaine, C~17~H~21~NO~4~
Authors of publication	Hrynchuk, Ronald J.; Barton, Richard J.; Robertson, Beverley E.
Journal of publication	Canadian Journal of Chemistry
Year of publication	1983
Journal volume	61
Journal issue	2
Pages of publication	481 - 487
a	10.13 ± 0.001 Å
b	9.866 ± 0.002 Å
c	8.445 ± 0.001 Å
α	90°
β	106.92 ± 0.01°
γ	90°
Cell volume	807.48 Å³
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/5000070.html