Crystallography Open Database

Information card for entry 1545322

Preview

Coordinates	1545322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O3
Calculated formula	C21 H20 O3
SMILES	O=C(O)[C@]1(c2ccccc2)[C@@H]2[C@@]1(CC(=O)c1ccccc1)CCC2.O=C(O)[C@@]1(c2ccccc2)[C@H]2[C@]1(CC(=O)c1ccccc1)CCC2
Title of publication	Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.
Authors of publication	Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	6
Pages of publication	1306 - 1309
a	7.4785 ± 0.0004 Å
b	10.0969 ± 0.0005 Å
c	11.6506 ± 0.0006 Å
α	72.828 ± 0.005°
β	89.259 ± 0.004°
γ	77.332 ± 0.004°
Cell volume	818.79 ± 0.08 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
194875 (current)	2017-04-04	cif/ Updating files of 1545321, 1545322 Original log message: Adding full bibliography for 1545321--1545322.cif.	1545322.cif
192667	2017-03-02	cif/ Adding structures of 1545322 via cif-deposit CGI script.	1545322.cif