Crystallography Open Database

Information card for entry 7220493

7220492 << 7220493 >> 7220494

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Structure parameters

Formula	C30 H24 N2 O3
Calculated formula	C30 H24 N2 O3
SMILES	O(c1ccc(cc1)c1cccc(c1C(=O)Nc1cccc2c1nccc2)c1ccc(OC)cc1)C
Title of publication	Step economical synthesis of o-aryl benzamides via C-H activation relayed by the in situ installation of directing group: a multicomponent method
Authors of publication	Liu, Yunyun; Zhang, Yi; Huang, Meiying; Wan, Jie-Ping
Journal of publication	RSC Adv.
Year of publication	2015
a	8.8035 ± 0.0018 Å
b	10.76 ± 0.002 Å
c	13.898 ± 0.003 Å
α	94.58 ± 0.03°
β	100.59 ± 0.03°
γ	110.38 ± 0.03°
Cell volume	1198.2 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0647
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220493.cif
136942	2015-05-19	cif/ Adding structures of 7220493 via cif-deposit CGI script.	7220493.cif