Crystallography Open Database

Information card for entry 7231904

7231903 << 7231904 >> 7231905

Preview

Coordinates	7231904.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-((1H-pyrrol-2-yl)methyleneamino)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one
Formula	C33 H35 N5 O2
Calculated formula	C33 H35 N5 O2
Title of publication	2′-Deoxy-5-(hydroxymethyl)cytidine: estimation in human cancer cells with a simple chemosensor
Authors of publication	Sarkar, Himadri Sekhar; Kundu, Shampa; Das, Sujoy; Maiti, Pulak Kumar; Mandal, Sukhendu; Sahoo, Prithidipa
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	70
Pages of publication	39893
a	11.1087 ± 0.0011 Å
b	22.604 ± 0.002 Å
c	12.1637 ± 0.0012 Å
α	90°
β	109.349 ± 0.005°
γ	90°
Cell volume	2881.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1011
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.671
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
212253 (current)	2018-11-30	cif/ Adding structures of 7231904 via cif-deposit CGI script.	7231904.cif