Crystallography Open Database

Information card for entry 7156991

Preview

Coordinates	7156991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 N3 O4
Calculated formula	C31 H33 N3 O4
Title of publication	Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.
Authors of publication	Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	33
Pages of publication	7747 - 7759
a	9.899 ± 0.002 Å
b	11.547 ± 0.003 Å
c	13.186 ± 0.003 Å
α	111.235 ± 0.017°
β	91.111 ± 0.016°
γ	102.013 ± 0.016°
Cell volume	1366.7 ± 0.6 Å³
Cell temperature	296 ± 0.2 K
Ambient diffraction temperature	296 ± 0.2 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	0.1856
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
225097 (current)	2019-11-08	cif/ Updating files of 7156991, 7156992 Original log message: Adding full bibliography for 7156991--7156992.cif.	7156991.cif
217256	2019-07-25	cif/ Adding structures of 7156991, 7156992 via cif-deposit CGI script.	7156991.cif