Crystallography Open Database

Information card for entry 4038790

Preview

Coordinates	4038790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 O4 P
Calculated formula	C16 H15 O4 P
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	13.6 ± 0.0004 Å
b	7.1637 ± 0.0002 Å
c	29.5605 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2879.97 ± 0.15 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	4038790.cif
256542	2020-09-19	cif/ Adding structures of 4038790 via cif-deposit CGI script.	4038790.cif