Crystallography Open Database

Information card for entry 7127293

Preview

Coordinates	7127293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 O3
Calculated formula	C15 H16 O3
SMILES	O1c2cc(ccc2[C@H]2[C@@H]3CC[C@H]([C@@H]12)C3)C(=O)OC
Title of publication	Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.
Authors of publication	Tao, Mengna; Li, Wenbo; Zhang, Junliang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	86
Pages of publication	13125 - 13128
a	6.0733 ± 0.0002 Å
b	11.523 ± 0.0003 Å
c	17.1932 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1203.23 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	3
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	0.0346
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
260598 (current)	2021-01-07	cif/ Updating files of 7127292, 7127293 Original log message: Adding full bibliography for 7127292--7127293.cif.	7127293.cif
256551	2020-09-19	cif/ Adding structures of 7127292, 7127293 via cif-deposit CGI script.	7127293.cif