Crystallography Open Database

Information card for entry 7240373

Preview

Coordinates	7240373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O
Calculated formula	C24 H23 N O
SMILES	C1c2ccccc2C(=C\c2ccc(cc2)OC)\CN1Cc1ccccc1
Title of publication	Substrate controlled, regioselective carbopalladation for the one-pot synthesis of C4-substituted tetrahydroisoquinoline analogues
Authors of publication	Krishna Reddy, Singarajanahalli Mundarinti; Suresh, Pavithira; Thamotharan, Subbiah; Nanubolu, Jagadeesh Babu; Suresh, Surisetti; Selva Ganesan, Subramaniapillai
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	27
Pages of publication	15794 - 15799
a	6.1269 ± 0.0007 Å
b	9.077 ± 0.0012 Å
c	17.366 ± 0.002 Å
α	79.554 ± 0.004°
β	84.737 ± 0.004°
γ	81.243 ± 0.005°
Cell volume	936.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
257986 (current)	2020-10-06	cif/ Updating files of 7240373 Original log message: Adding full bibliography for 7240373.cif.	7240373.cif
251005	2020-04-22	cif/ Adding structures of 7240373 via cif-deposit CGI script.	7240373.cif