Crystallography Open Database

Information card for entry 4032436

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Structure parameters

Formula	C25 H22
Calculated formula	C25 H22
SMILES	c12c(cc(cc2)C)C2=C(c3c(C2(C1)C)cccc3)c1cc(ccc1)C
Title of publication	A Domino Palladium-Catalyzed Cyclization: One-pot Synthesis of 4b-Alkyl-10-phenyl-4b,5-dihydroindeno[2,1-a]indenes via Carbopalladation Followed by C-H Activation.
Authors of publication	Ramesh, Karu; Satyanarayana, Gedu
Journal of publication	The Journal of organic chemistry
Year of publication	2017
a	8.4038 ± 0.0005 Å
b	9.7159 ± 0.0006 Å
c	22.1773 ± 0.0015 Å
α	90°
β	90.719 ± 0.006°
γ	90°
Cell volume	1810.6 ± 0.2 Å³
Cell temperature	323 K
Ambient diffraction temperature	323 K
Number of distinct elements	2
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	0.0879
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4032436.cif
195332	2017-04-12	cif/ Adding structures of 4032436 via cif-deposit CGI script.	4032436.cif