Crystallography Open Database

Information card for entry 1554892

Preview

Coordinates	1554892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 O4
Calculated formula	C20 H18 O4
SMILES	O1C(=C[C@H](c2ccccc2)[C@@H]2[C@@H]1Oc1c(cccc1)C2)C(=O)OC
Title of publication	Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways
Authors of publication	Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	12
Pages of publication	1972
a	10.3231 ± 0.0013 Å
b	8.3376 ± 0.001 Å
c	10.651 ± 0.0013 Å
α	90°
β	116.926 ± 0.002°
γ	90°
Cell volume	817.35 ± 0.17 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
238183 (current)	2019-11-24	cif/ Adding structures of 1554891, 1554892, 1554893 via cif-deposit CGI script.	1554892.cif