Crystallography Open Database

Information card for entry 4029778

Preview

Coordinates	4029778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 N O4
Calculated formula	C18 H15 N O4
Title of publication	Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.
Authors of publication	Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2010
Journal volume	6
Pages of publication	848 - 858
a	8.6977 ± 0.0009 Å
b	12.5877 ± 0.0013 Å
c	18.8825 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2067.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.082
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029778.cif
120298	2014-07-14	cif/ Adding structures of 4029778 via cif-deposit CGI script.	4029778.cif