Crystallography Open Database

Information card for entry 4029781

Preview

Coordinates	4029781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H62 N2 O4
Calculated formula	C34 H62 N2 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	12.2424 ± 0.0015 Å
b	17.278 ± 0.002 Å
c	16.726 ± 0.0019 Å
α	90°
β	98.199 ± 0.002°
γ	90°
Cell volume	3501.8 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.1042
Weighted residual factors for significantly intense reflections	0.2406
Weighted residual factors for all reflections included in the refinement	0.2529
Goodness-of-fit parameter for all reflections included in the refinement	1.219
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4029781.cif
120301	2014-07-14	cif/ Adding structures of 4029781 via cif-deposit CGI script.	4029781.cif