Crystallography Open Database

Information card for entry 7160585

Preview

Coordinates	7160585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N3 O2
Calculated formula	C16 H17 N3 O2
Title of publication	Conjugate addition/cyclization of propanal with isatylidene malononitriles: an efficient one-pot organocatalytic approach for the synthesis of 3'-methyl spiro[2<i>H</i>-pyran-3,4'-indoline].
Authors of publication	Patil, Baliram R.; Nichinde, Chandrakant B.; Girase, Amardipsing S.; Chaudhari, Suryakant S.; Kinage, Anil K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	25
Pages of publication	6214 - 6219
a	9.303 ± 0.0013 Å
b	8.9537 ± 0.0013 Å
c	17.411 ± 0.002 Å
α	90°
β	97.146 ± 0.004°
γ	90°
Cell volume	1439 ± 0.3 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.1001
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
301138 (current)	2025-07-06	cif/ Updating files of 7160584, 7160585 Original log message: Adding full bibliography for 7160584--7160585.cif.	7160585.cif
300008	2025-06-07	cif/ Adding structures of 7160584, 7160585 via cif-deposit CGI script.	7160585.cif