Crystallography Open Database

Information card for entry 1545321

Preview

Coordinates	1545321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 O2
Calculated formula	C21 H22 O2
SMILES	O=C(O)[C@@]1(c2ccccc2)[C@]2([C@@H]1CCC2)CCc1ccccc1.O=C(O)[C@]1(c2ccccc2)[C@@]2([C@H]1CCC2)CCc1ccccc1
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	12.562 ± 0.004 Å
b	7.6332 ± 0.0015 Å
c	19.11 ± 0.005 Å
α	90°
β	107.74 ± 0.009°
γ	90°
Cell volume	1745.3 ± 0.8 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71075 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.	1545321.cif
192666	2017-03-02	cif/ Adding structures of 1545321 via cif-deposit CGI script.	1545321.cif