Crystallography Open Database

Information card for entry 7207944

7207943 << 7207944 >> 7207945

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Structure parameters

Formula	C18 H33 N3 O6
Calculated formula	C18 H33 N3 O6
SMILES	O(C(C)(C)C)C(=O)NCCCC(=O)NC(C(=O)NCCCC(=O)OC)(C)C
Title of publication	Luminescent nanoparticles from tripeptide–CdS conjugate
Authors of publication	Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	4034
a	9.3487 ± 0.0008 Å
b	24.295 ± 0.003 Å
c	9.7998 ± 0.0011 Å
α	90°
β	102.135 ± 0.003°
γ	90°
Cell volume	2176.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.2076
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7207944.cif
180410	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/79.	7207944.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207944.cif
60399	2012-06-14	cif/ Adding structures of 7207943, 7207944 via cif-deposit CGI script.	7207944.cif