Crystallography Open Database

Information card for entry 1554893

Preview

Coordinates	1554893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cl O4
Calculated formula	C21 H19 Cl O4
SMILES	Clc1ccc([C@H]2C=C(O[C@@H]3Oc4c(cccc4)C[C@H]23)C(=O)OCC)cc1
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	10.5134 ± 0.0013 Å
b	7.5193 ± 0.0009 Å
c	22.921 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1812 ± 0.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0627
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1554893.cif