Crystallography Open Database

Information card for entry 7157162

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Structure parameters

Formula	C24 H19 N O8
Calculated formula	C24 H19 N O8
Title of publication	3-Nitro-3,4-dihydrocoumarins: Valuable precursors for the synthesis of enantiomerically enriched masked quaternary α-amino acid derivatives with a 3,4-dihydrocoumarin scaffold
Authors of publication	Lv, Dan; Zhao, Min; Wang, Youming; Zhou, Zhenghong
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2019
a	10.3112 ± 0.0001 Å
b	17.8036 ± 0.0002 Å
c	30.2278 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5549.11 ± 0.1 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 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	0.0494
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7157162.cif
219482	2019-10-24	cif/ Adding structures of 7157162 via cif-deposit CGI script.	7157162.cif