Crystallography Open Database

Information card for entry 4032874

Preview

Coordinates	4032874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25 N3 O3
Calculated formula	C12 H25 N3 O3
Title of publication	Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.
Authors of publication	Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	19
Pages of publication	9937 - 9945
a	9.787 ± 0.005 Å
b	12.007 ± 0.005 Å
c	27.226 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3199 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0402
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.0606
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4032874.cif
202697	2017-11-07	cif/ Updating files of 4032872, 4032873, 4032874 Original log message: Adding full bibliography for 4032872--4032874.cif.	4032874.cif
201130	2017-09-22	cif/ Adding structures of 4032874 via cif-deposit CGI script.	4032874.cif