Crystallography Open Database

Information card for entry 4060359

Preview

Coordinates	4060359.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Canada-11 XW-168
Formula	C26 H35 N O3
Calculated formula	C26 H35 N O3
SMILES	O=C(C1(CCCCC1)C(C)C)c1ccc(cc1)C(=O)[O-].[NH3+][C@H](c1ccc(cc1)C)C
Title of publication	Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction
Authors of publication	Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem
Journal of publication	Organic Letters
Year of publication	2005
Journal volume	7
Journal issue	7
Pages of publication	1315 - 1318
a	13.807 ± 0.003 Å
b	6.34 ± 0.001 Å
c	26.961 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2360.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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