Crystallography Open Database

Information card for entry 2000073

2000072 << 2000073 >> 2000074

Preview

Coordinates	2000073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N O4
Calculated formula	C26 H19 N O4
SMILES	COc1ccccc1c1c2C(=O)NC(=O)c2c(c2c1cccc2)c1ccccc1OC
Title of publication	Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations
Authors of publication	Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques
Journal of publication	Angewandte Chemie, International Edition in English
Year of publication	2001
Journal volume	40
Journal issue	10
Pages of publication	1926 - 1929
a	9.136 ± 0.004 Å
b	11.029 ± 0.005 Å
c	12.238 ± 0.005 Å
α	100.37 ± 0.02°
β	111.79 ± 0.02°
γ	111.04 ± 0.02°
Cell volume	996.406 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0432
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/2000073.html