Crystallography Open Database

Information card for entry 1550402

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Structure parameters

Formula	C15 H12 O4
Calculated formula	C15 H12 O4
SMILES	C(=O)c1c(ccc(c1)Cc1ccc(c(c1)C=O)O)O
Title of publication	Organic core–shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction
Authors of publication	Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long
Journal of publication	Chemical Science
Year of publication	2019
Journal volume	10
Journal issue	2
Pages of publication	490
a	7.804 ± 0.002 Å
b	11.72 ± 0.003 Å
c	13.252 ± 0.004 Å
α	90°
β	94.565 ± 0.005°
γ	90°
Cell volume	1208.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1550402.cif
212907	2019-01-11	cif/ Adding structures of 1550401, 1550402 via cif-deposit CGI script.	1550402.cif