Crystallography Open Database

Information card for entry 7064396

Preview

Coordinates	7064396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 N3 O
Calculated formula	C32 H27 N3 O
Title of publication	A visible light-promoted C–H insertion reaction of diazoamides with 1,3-diketones
Authors of publication	Hariharan, Selvaraj; Muthusamy, Sengodagounder
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	20
Pages of publication	8784 - 8789
a	8.9884 ± 0.0004 Å
b	11.021 ± 0.0004 Å
c	14.027 ± 0.0005 Å
α	110.534 ± 0.001°
β	104.021 ± 0.001°
γ	95.898 ± 0.001°
Cell volume	1235.23 ± 0.08 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
306466 (current)	2026-06-05	cif/ Updating files of 7064396, 7064397 Original log message: Adding full bibliography for 7064396--7064397.cif.	7064396.cif
305680	2026-05-01	cif/ Adding structures of 7064396, 7064397 via cif-deposit CGI script.	7064396.cif