Crystallography Open Database

Information card for entry 7217030

Preview

Coordinates	7217030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N3 O7
Calculated formula	C30 H28 N3 O7
SMILES	c1(ccc(cc1)N(=O)=O)C(C1=C([C@H](Cc2ccccc2)NC1=O)O)C1=C([C@H](Cc2ccccc2)NC1=O)O.CO
Title of publication	Novel chiral tetramic acid‒derived diols: organocatalytic facile synthesis and unique structural properties
Authors of publication	Sengoku, Tetsuya; Suzuki, Kosuke; Nakayama, Ken; Fumitoshi, Yagishita; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi
Journal of publication	RSC Advances
Year of publication	2014
a	10.4426 ± 0.0006 Å
b	12.0149 ± 0.0007 Å
c	21.139 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2652.2 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1078
Residual factor for significantly intense reflections	0.1071
Weighted residual factors for significantly intense reflections	0.2861
Weighted residual factors for all reflections included in the refinement	0.2866
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180501 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217030.cif
119011	2014-07-05	cif/ Adding structures of 7217030 via cif-deposit CGI script.	7217030.cif