Crystallography Open Database

Information card for entry 7130058

Preview

Coordinates	7130058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H19 F2 N O3
Calculated formula	C29 H19 F2 N O3
SMILES	c12ccccc1[C@H](c1ccc(cc1)F)C13C(O2)(OC=N3)Oc2c([C@H]1c1ccc(cc1)F)cccc2
Title of publication	Diastereodivergent synthesis of chromeno[2,3-b]chromenes by tuning the full reactivity centers of isocyanoacetate
Authors of publication	Wang, Lei; Huang, Zitong; Guo, Xiaoyu; Liu, Jian; Dong, Jinhuan; Xu, Xianxiu
Journal of publication	Chemical Communications
Year of publication	2022
a	7.0756 ± 0.0005 Å
b	12.6433 ± 0.0014 Å
c	13.6801 ± 0.0014 Å
α	102.608 ± 0.009°
β	104.04 ± 0.008°
γ	106.219 ± 0.008°
Cell volume	1084.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
274896 (current)	2022-05-05	cif/ Adding structures of 7130057, 7130058 via cif-deposit CGI script.	7130058.cif