Crystallography Open Database

Information card for entry 7210008

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Structure parameters

Formula	C18 H26 N2 O6
Calculated formula	C18 H26 N2 O6
SMILES	O=C(O)C(NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1)(C)C.O(CC)C(=O)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	10.864 ± 0.003 Å
b	11.56 ± 0.003 Å
c	31.828 ± 0.009 Å
α	90.032 ± 0.005°
β	90.091 ± 0.005°
γ	91.966 ± 0.004°
Cell volume	3994.9 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1623
Residual factor for significantly intense reflections	0.1255
Weighted residual factors for significantly intense reflections	0.3577
Weighted residual factors for all reflections included in the refinement	0.3793
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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.	7210008.cif
181910	2016-04-06	cif/7 Fixing Z values and formulae	7210008.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.	7210008.cif
86900	2013-07-12	cif/ Adding structures of 7210006, 7210007, 7210008 via cif-deposit CGI script.	7210008.cif