Crystallography Open Database

Information card for entry 4032873

Preview

Coordinates	4032873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25 N3 O3
Calculated formula	C12 H25 N3 O3
SMILES	O(C(C)(C)C)C(=O)NN(CC(C)C)[C@H](C)C(=O)N
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	10.5287 ± 0.0004 Å
b	9.9246 ± 0.0004 Å
c	14.8794 ± 0.0006 Å
α	90°
β	104.141 ± 0.002°
γ	90°
Cell volume	1507.68 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0413
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.0526
Diffraction radiation probe	x-ray
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
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4032873.cif
255262	2020-08-12	cif/4 Fixing Z values and formulae	4032873.cif
202697	2017-11-07	cif/ Updating files of 4032872, 4032873, 4032874 Original log message: Adding full bibliography for 4032872--4032874.cif.	4032873.cif
201129	2017-09-22	cif/ Adding structures of 4032873 via cif-deposit CGI script.	4032873.cif