Crystallography Open Database

Information card for entry 4135258

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Structure parameters

Formula	C15 H19 N O4
Calculated formula	C15 H19 N O4
SMILES	O(C)c1ccc(cc1)[C@@H]([C@@H]1CCCCC1=O)CN(=O)=O
Title of publication	Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.
Authors of publication	Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	5.7066 ± 0.0004 Å
b	8.4577 ± 0.0006 Å
c	30.146 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1454.99 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4135258.cif
256674	2020-09-24	cif/ Adding structures of 4135258 via cif-deposit CGI script.	4135258.cif