Crystallography Open Database

Information card for entry 1545430

Preview

Coordinates	1545430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26 N O2 P
Calculated formula	C35 H26 N O2 P
SMILES	P(=O)(c1ccccc1)(c1ccccc1)[C@H]1C(=O)n2c3ccccc3c(c3ccccc3)c2[C@@H]1c1ccccc1.P(=O)(c1ccccc1)(c1ccccc1)[C@@H]1C(=O)n2c3ccccc3c(c3ccccc3)c2[C@H]1c1ccccc1
Title of publication	Silver-Catalyzed Radical-Involved Cascade Cyclization of Diphenylphosphine with Cinnamamides: Access to 2-Phosphinoyl-3H-pyrrolo[1,2-a]indoles.
Authors of publication	Xu, Jian; Yu, Xiaoxia; Song, Qiuling
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	980 - 983
a	10.697 ± 0.003 Å
b	14.116 ± 0.007 Å
c	18.102 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2733 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1866
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.2004
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation probe	x-ray
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
193352 (current)	2017-03-04	cif/ Adding structures of 1545430 via cif-deposit CGI script.	1545430.cif