Crystallography Open Database

Information card for entry 7210006

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Structure parameters

Formula	C13 H24 N2 O5
Calculated formula	C13 H24 N2 O5
SMILES	O=C(O)C(NC(=O)CCCNC(=O)OC(C)(C)C)(C)C
Title of publication	Fabrication of microspheres from self-assembled γ-peptides
Authors of publication	Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	29
Pages of publication	5860
a	16.1814 ± 0.0015 Å
b	10.4831 ± 0.0009 Å
c	18.8326 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3194.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7210006.cif
180431	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 7/21/00.	7210006.cif
86900	2013-07-12	cif/ Adding structures of 7210006, 7210007, 7210008 via cif-deposit CGI script.	7210006.cif