Crystallography Open Database

Information card for entry 4038789

Preview

Coordinates	4038789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O8 P2
Calculated formula	C17 H22 O8 P2
Title of publication	Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.
Authors of publication	Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	19
Pages of publication	12097 - 12107
a	22.428 ± 0.005 Å
b	8.079 ± 0.002 Å
c	10.933 ± 0.003 Å
α	90°
β	101.949 ± 0.008°
γ	90°
Cell volume	1938.1 ± 0.8 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
257132 (current)	2020-10-04	cif/ Updating files of 4038788, 4038789, 4038790 Original log message: Adding full bibliography for 4038788--4038790.cif.	4038789.cif
256541	2020-09-19	cif/ Adding structures of 4038789 via cif-deposit CGI script.	4038789.cif