Crystallography Open Database

Information card for entry 4060361

Preview

Coordinates	4060361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 N O3
Calculated formula	C27 H37 N O3
SMILES	O=C(C1(CCCCCC1)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	14.05 ± 0.003 Å
b	6.38 ± 0.001 Å
c	14.914 ± 0.003 Å
α	90°
β	111.01 ± 0.02°
γ	90°
Cell volume	1248 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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