Crystallography Open Database

Information card for entry 7155829

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Structure parameters

Formula	C17 H17 N O4
Calculated formula	C17 H17 N O4
SMILES	O(C)c1ccc(cc1)C(=O)CNC(=O)c1ccc(OC)cc1
Title of publication	Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone
Authors of publication	Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	16.431 ± 0.003 Å
b	5.3912 ± 0.0009 Å
c	16.311 ± 0.003 Å
α	90°
β	94.01 ± 0.003°
γ	90°
Cell volume	1441.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0679
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155829.cif
199793	2017-08-16	cif/ Adding structures of 7155828, 7155829 via cif-deposit CGI script.	7155829.cif