Crystallography Open Database

Information card for entry 1555031

Preview

Coordinates	1555031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 N O2
Calculated formula	C36 H39 N O2
SMILES	c12ccccc1[nH]c(c2C(c1ccc(cc1)OC)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccccc1
Title of publication	Expedient Access to Unsymmetrical Diarylindolylmethanes through Palladium-Catalyzed Domino Electrophilic Cyclization-Extended Conjugate Addition Approach.
Authors of publication	Reddy, Virsinha; Vijaya Anand, Ramasamy
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3390 - 3393
a	14.8225 ± 0.0019 Å
b	11.0736 ± 0.0013 Å
c	18.657 ± 0.003 Å
α	90°
β	100.056 ± 0.006°
γ	90°
Cell volume	3015.3 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.2069
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.1779
Weighted residual factors for all reflections included in the refinement	0.235
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
238281 (current)	2019-11-24	cif/ Adding structures of 1555031 via cif-deposit CGI script.	1555031.cif