Crystallography Open Database

Information card for entry 7160584

Preview

Coordinates	7160584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 F3 N3 O3
Calculated formula	C18 H18 F3 N3 O3
Title of publication	Conjugate addition/ cyclization of aliphatic aldehydes with isatylidene malononitriles: An Efficient one-pot organocatalytic approach for the synthesis of 3'-alkyl spiro[2H-pyran-3,4′-indoline]
Authors of publication	Patil, Baliram Raosaheb; Nichinde, Chandrakant Bhagwan; Girase, Amardipsing S.; Chaudhari, Suryakant Shivaji; Kinage, Anil Kisan
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	14.564 ± 0.005 Å
b	11.352 ± 0.004 Å
c	11.354 ± 0.004 Å
α	90°
β	96.202 ± 0.009°
γ	90°
Cell volume	1866.2 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0767
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300008 (current)	2025-06-07	cif/ Adding structures of 7160584, 7160585 via cif-deposit CGI script.	7160584.cif